U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H19FN4O3
Molecular Weight 370.3776
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BRIVANIB

SMILES

C[C@@H](O)COC1=CN2N=CN=C(OC3=C(F)C4=C(NC(C)=C4)C=C3)C2=C1C

InChI

InChIKey=WCWUXEGQKLTGDX-LLVKDONJSA-N
InChI=1S/C19H19FN4O3/c1-10-6-13-14(23-10)4-5-15(17(13)20)27-19-18-12(3)16(26-8-11(2)25)7-24(18)22-9-21-19/h4-7,9,11,23,25H,8H2,1-3H3/t11-/m1/s1

HIDE SMILES / InChI
Molecular Formula C19H19FN4O3
Molecular Weight 370.3776
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:15:22 UTC 2023
Edited
by admin
on Fri Dec 15 16:15:22 UTC 2023
Record UNII
DDU33B674I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BRIVANIB
MI   USAN   WHO-DD  
USAN  
Official Name English
BRIVANIB [USAN]
Common Name English
BMS-540215
Code English
2-PROPANOL, 1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO(2,1-F)(1,2,4)TRIAZIN-6-YL)OXY)-, (2R)-
Systematic Name English
Brivanib [WHO-DD]
Common Name English
BRIVANIB [MI]
Common Name English
(2R)-1-({4-[(4-Fluoro-2-methyl-1H-indol-5-yl)oxy]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl}oxy)propan-2-ol
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
NCI_THESAURUS C1742
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C67040
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
PUBCHEM
11234052
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
ChEMBL
CHEMBL377300
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
MERCK INDEX
m2653
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY Merck Index
MESH
C509922
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID60215294
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
CHEBI
167686
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
FDA UNII
DDU33B674I
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
SMS_ID
100000127529
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
DRUG BANK
DB11958
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
USAN
WW-39
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
EVMPD
SUB33565
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
CAS
649735-46-6
Created by admin on Fri Dec 15 16:15:22 UTC 2023 , Edited by admin on Fri Dec 15 16:15:22 UTC 2023
PRIMARY
Related Record Type Details
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
TARGET -> INHIBITOR
FIBROBLAST GROWTH FACTOR RECEPTOR 1
TARGET -> INHIBITOR
Related Record Type Details
Structure of 1H-INDOLE-2-CARBOXYLIC ACID, 4-FLUORO-5-((5-METHYL-6-((2R)-2-(SULFOOXY)PROPOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
METABOLITE -> PARENT
FECAL
Structure of 1H-INDOLE-2-CARBOXYLIC ACID, 4-FLUORO-5-((5-METHYL-6-((2R)-2-(SULFOOXY)PROPOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
METABOLITE -> PARENT
URINE
Structure of 1H-INDOLE-2-METHANOL, 4-FLUORO-5-((5-METHYL-6-((2R)-2-(SULFOOXY)PROPOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
METABOLITE -> PARENT
URINE
Structure of 2-PROPANOL, 1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO(2,1-F)(1,2,4)TRIAZIN-6-YL)OXY)-, 2-(HYDROGEN SULFATE), (2R)-
METABOLITE -> PARENT
PLASMA
Structure of PYRROLO(2,1-F)(1,2,4)TRIAZIN-6-OL, 4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYL-, 6-(HYDROGEN SULFATE)
METABOLITE -> PARENT
PLASMA
Structure of 4-FLUORO-5-(6-((2R)-2-HYDROXYPROPOXY)-5-METHYL-PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY-1H-INDOLE-2-CARBOXYLIC ACID
METABOLITE -> PARENT
URINE
Structure of 4-FLUORO-5-(6-((2R)-2-HYDROXYPROPOXY)-5-METHYL-PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY-1H-INDOLE-2-CARBOXYLIC ACID
METABOLITE -> PARENT
PLASMA
Structure of 1H-INDOLE-2-METHANOL, 4-FLUORO-5-((5-METHYL-6-((2R)-2-(SULFOOXY)PROPOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
METABOLITE -> PARENT
URINE
Structure of 4-FLUORO-5-(6-((2R)-2-HYDROXYPROPOXY)-5-METHYL-PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY-1H-INDOLE-2-CARBOXYLIC ACID
METABOLITE -> PARENT
FECAL
Structure of 1H-INDOLE-2-CARBOXYLIC ACID, 4-FLUORO-5-((5-METHYL-6-(SULFOOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
METABOLITE -> PARENT
URINE
Structure of 2-PROPANOL, 1-((4-((4-FLUORO-2-METHYL-1H-INDOL-5-YL)OXY)-5-METHYLPYRROLO(2,1-F)(1,2,4)TRIAZIN-6-YL)OXY)-, 2-(HYDROGEN SULFATE), (2R)-
METABOLITE -> PARENT
FECAL
Structure of BRIVANIB ALANINATE
PRODRUG -> METABOLITE ACTIVE
Structure of 1H-INDOLE-2-CARBOXYLIC ACID, 4-FLUORO-5-((5-METHYL-6-(SULFOOXY)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)OXY)-
METABOLITE -> PARENT
PLASMA
Related Record Type Details
Structure of BRIVANIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966