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OR - searches with terms separated by " OR " will return items that contain any of the terms in the search.
Example: "ASPIRIN" OR "CALCIUM" will return items that have strings like "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because they contain at least one of the terms in the search.

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Example: "ASPIRIN" AND "CALCIUM" won't return items that have strings "ASPIRIN GLYCINE" and "GLYCINE CALCIUM" because neither contain both terms, but it will return "ASPIRIN GLYCINE CALCIUM" because it contains both search terms.
version 2.5
Substance Class Chemical
Record UNII
VKU5X213Q7
Record Status Validated (UNII)
Record Version
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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H24N6O2
Molecular Weight 368.4329
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0
Created by admin on Thu Mar 26 02:30:28 EDT 2020
Edited by admin on Thu Mar 26 02:30:28 EDT 2020
Structure of BMS-690514

Systematic Names:

  • None recorded
  • {{name}}

SMILES

COC1=CC(NC2=NC=NN3C=CC(CN4CC[C@@H](N)[C@H](O)C4)=C23)=CC=C1

InChI

CSGQVNMSRKWUSH-IAGOWNOFSA-N
InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1
Name Type Language Details References
BMS-690514
Common Name
English  
3-PIPERIDINOL, 4-AMINO-1-((4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-, (3R,4R)-
Systematic Name
English  
BMS 690514
Common Name
English  
BMS 6690514
Common Name
English  
(3R,4R)-4-AMINO-1-((4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-3-PIPERIDINOL
Systematic Name
English  
BMS 690514 [WHO-DD]
Common Name
English  
Code System Code Type Description References
PUBCHEM
11349170
Created by admin on Thu Mar 26 02:30:28 EDT 2020 , Edited by admin on Thu Mar 26 02:30:28 EDT 2020
PRIMARY
CAS
859853-30-8
Created by admin on Thu Mar 26 02:30:28 EDT 2020 , Edited by admin on Thu Mar 26 02:30:28 EDT 2020
PRIMARY
ChEMBL
CHEMBL3545396
Created by admin on Thu Mar 26 02:30:28 EDT 2020 , Edited by admin on Thu Mar 26 02:30:28 EDT 2020
PRIMARY
EVMPD
SUB194073
Created by admin on Thu Mar 26 02:30:28 EDT 2020 , Edited by admin on Thu Mar 26 02:30:28 EDT 2020
PRIMARY
Related Record Type Details References
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:30:29 EDT 2020 , Edited by admin on Thu Mar 26 02:30:29 EDT 2020
EXCRETED UNCHANGED
Mediator Substance Details
none
AMOUNT EXCRETED
URINE
Created by admin on Thu Mar 26 02:30:28 EDT 2020 , Edited by admin on Thu Mar 26 02:30:28 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:30:31 EDT 2020 , Edited by admin on Thu Mar 26 02:30:31 EDT 2020
TRANSPORTER -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:30:30 EDT 2020 , Edited by admin on Thu Mar 26 02:30:30 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
IC50
Created by admin on Thu Mar 26 02:30:29 EDT 2020 , Edited by admin on Thu Mar 26 02:30:29 EDT 2020
TARGET -> INHIBITOR
Mediator Substance Details
none
IC50
Created by admin on Thu Mar 26 02:30:29 EDT 2020 , Edited by admin on Thu Mar 26 02:30:29 EDT 2020
EXCRETED UNCHANGED
Mediator Substance Details
none
AMOUNT EXCRETED
FECAL
Created by admin on Thu Mar 26 02:30:31 EDT 2020 , Edited by admin on Thu Mar 26 02:30:31 EDT 2020
METABOLIC ENZYME -> SUBSTRATE
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:30:28 EDT 2020 , Edited by admin on Thu Mar 26 02:30:28 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:30:30 EDT 2020 , Edited by admin on Thu Mar 26 02:30:30 EDT 2020
TARGET -> INHIBITOR
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:30:29 EDT 2020 , Edited by admin on Thu Mar 26 02:30:29 EDT 2020
Related Record Type Details References
ACTIVE MOIETY
none
none
Mediator Substance Details
none
Created by admin on Thu Mar 26 02:30:28 EDT 2020 , Edited by admin on Thu Mar 26 02:30:28 EDT 2020
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC SINGLE DOSE

ORAL ADMINISTRATION

Tmax PHARMACOKINETIC SINGLE DOSE

ORAL ADMINISTRATION

Created Thu Mar 26 02:30:28 EDT 2020
Created By admin
Last Edited Thu Mar 26 02:30:28 EDT 2020
Last Edited By admin
Index Source Text / Citation Source Type Tags Date Accessed File
1 Generated from relationship on:'VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2' SYSTEM
2 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
3 EVMPD EVMPD NOMEN PUBLIC_DOMAIN_RELEASE
4 dump-public-2020-03-25.gsrs BATCH_IMPORT Thu Mar 26 02:30:25 EDT 2020
5 stn SRS NOMEN
6 STN STN (SCIFINDER)
7 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
8 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
9 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
10 WHO-DD WHO DRUG DICTIONARY
11 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
12 FDA_SRS SRS NOMEN PUBLIC_DOMAIN_RELEASE AUTO_SELECTED
13 SRS import [VKU5X213Q7] SRS NOMEN Fri Apr 28 14:31:52 EDT 2017
14 SRS CODE IMPORT SRS NOMEN Fri Apr 28 14:31:52 EDT 2017
15 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
16 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
17 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
18 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
19 Metabolism and Disposition of [14C]BMS-690514, an ErbB/Vascular Endothelial Growth Factor Receptor Inhibitor, after Oral Administration to Humans Lisa J. Christopher, Haizheng Hong, Blisse J. Vakkalagadda, Pamela L. Clemens, Hong Su, Vikram Roongta, Alban Allentoff, Haojun Sun, Kevin Heller, Christopher T. Harbison, Ramaswamy A. Iyer, William G. Humphreys, Tai Wong and Steven Zhang Drug Metabolism and Disposition November 2010, 38 (11) 2049-2059; DOI: https://doi.org/10.1124/dmd.110.034850 JA PUBLIC_DOMAIN_RELEASE
20 http://www.guidetopharmacology.org/GRAC/ObjectDisplayForward?objectId=1813 WEBSITE NOMEN

Molecular Formula C19H24N6O2
Molecular Weight 368.4329
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED