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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

SHOW SMILES / InChI
Structure of BMS-690514

SMILES

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

InChI

InChIKey=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

HIDE SMILES / InChI
Molecular Formula C19H24N6O2
Molecular Weight 368.4329
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Unknown
123738
Substance Class Chemical
Created
by admin
on Fri Dec 15 15:53:46 UTC 2023
Edited
by admin
on Fri Dec 15 15:53:46 UTC 2023
Record UNII
VKU5X213Q7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
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 690514 [WHO-DD]
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
Code System Code Type Description
PUBCHEM
11349170
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
SMS_ID
100000178345
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
CAS
859853-30-8
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
NCI_THESAURUS
C68832
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
DRUG BANK
DB11665
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
FDA UNII
VKU5X213Q7
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
ChEMBL
CHEMBL3545396
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
EVMPD
SUB194073
Created by admin on Fri Dec 15 15:53:46 UTC 2023 , Edited by admin on Fri Dec 15 15:53:46 UTC 2023
PRIMARY
Related Record Type Details
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
TARGET -> INHIBITOR
Structure of BMS-690514
EXCRETED UNCHANGED
AMOUNT EXCRETED
URINE
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
TARGET -> INHIBITOR
MULTIDRUG RESISTANCE PROTEIN 1
TRANSPORTER -> SUBSTRATE
EPIDERMAL GROWTH FACTOR RECEPTOR
TARGET -> INHIBITOR
IC50
RECEPTOR TYROSINE-PROTEIN KINASE ERBB-2
TARGET -> INHIBITOR
IC50
Structure of BMS-690514
EXCRETED UNCHANGED
AMOUNT EXCRETED
FECAL
CYTOCHROME P450 2D6
METABOLIC ENZYME -> SUBSTRATE
RECEPTOR TYROSINE-PROTEIN KINASE ERBB-4
TARGET -> INHIBITOR
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 3
TARGET -> INHIBITOR
Related Record Type Details
Structure of 5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-7-OL
METABOLITE -> PARENT
MAJOR
FECAL
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 2-((5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)AMINO)-4-METHOXYPHENYL
METABOLITE -> PARENT
URINE
Structure of (3R,4R)-4-AMINO-1-((4-((4-HYDROXY-3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-3-PIPERIDINOL
METABOLITE -> PARENT
MAJOR
FECAL
Structure of (3R,4R)-4-AMINO-1-((4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-3-PIPERIDINYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
Structure of 8-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-5,6-DIHYDRO-5-(3-METHOXYPHENYL)PYRIDO(2,3-E)-1,2,4-TRIAZIN-6-OL
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-N-((3R,4R)-3-HYDROXY-1-((4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-4-PIPERIDINYL)CARBAMATE
METABOLITE -> PARENT
PLASMA; URINE
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-7-YL
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of (3R,4R)-4-AMINO-1-((4-((4-HYDROXY-3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-5-YL)METHYL)-3-PIPERIDINOL
METABOLITE -> PARENT
MINOR
URINE
Structure of 5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-4-((3-METHOXYPHENYL)AMINO)PYRROLO(2,1-F)(1,2,4)TRIAZIN-7-OL
METABOLITE -> PARENT
URINE
Structure of .BETA.-D-GLUCOPYRANOSIDURONIC ACID, 4-((5-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)PYRROLO(2,1-F)(1,2,4)TRIAZIN-4-YL)AMINO)-2-METHOXYPHENYL
METABOLITE -> PARENT
URINE
Structure of 8-(((3R,4R)-4-AMINO-3-HYDROXY-1-PIPERIDINYL)METHYL)-5,6-DIHYDRO-5-(3-METHOXYPHENYL)PYRIDO(2,3-E)-1,2,4-TRIAZIN-6-OL
METABOLITE -> PARENT
MINOR
URINE
Related Record Type Details
Structure of BMS-690514
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Biological Half-life PHARMACOKINETIC SINGLE DOSE

ORAL ADMINISTRATION

Tmax PHARMACOKINETIC SINGLE DOSE

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