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Details

Stereochemistry ACHIRAL
Molecular Formula C20H15ClN4
Molecular Weight 346.813
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VATALANIB

SMILES

ClC1=CC=C(NC2=NN=C(CC3=CC=NC=C3)C4=C2C=CC=C4)C=C1

InChI

InChIKey=YCOYDOIWSSHVCK-UHFFFAOYSA-N
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)

HIDE SMILES / InChI
Molecular Formula C20H15ClN4
Molecular Weight 346.813
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
86413
Substance Class Chemical
Created
by admin
on Fri Dec 15 16:10:10 UTC 2023
Edited
by admin
on Fri Dec 15 16:10:10 UTC 2023
Record UNII
5DX9U76296
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VATALANIB
INN   MI   USAN   WHO-DD  
USAN   INN  
Official Name English
VATALANIB [USAN]
Common Name English
VATALANIB [MI]
Common Name English
Vatalanib [WHO-DD]
Common Name English
BAY-86-5127
Code English
NVP-PTK787
Code English
CGP-79787
Code English
vatalanib [INN]
Common Name English
K-222584
Code English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
NCI_THESAURUS C1742
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
Code System Code Type Description
PUBCHEM
151194
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
FDA UNII
5DX9U76296
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
DRUG BANK
DB04879
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
CAS
212141-54-3
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
EPA CompTox
DTXSID2046919
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
MERCK INDEX
m11400
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY Merck Index
MESH
C404768
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
SMS_ID
100000091584
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
NCI_THESAURUS
C1868
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
ChEMBL
CHEMBL101253
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
EVMPD
SUB26999
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
INN
7994
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
WIKIPEDIA
Vatalanib
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
CHEBI
90620
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
USAN
QQ-50
Created by admin on Fri Dec 15 16:10:10 UTC 2023 , Edited by admin on Fri Dec 15 16:10:10 UTC 2023
PRIMARY
Related Record Type Details
Structure of VATALANIB SUCCINATE
SALT/SOLVATE -> PARENT
Structure of VATALANIB
EXCRETED UNCHANGED
FECAL
Structure of VATALANIB
EXCRETED UNCHANGED
URINE
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
TARGET -> INHIBITOR
Related Record Type Details
Structure of 1-PHTHALAZINEMETHANOL, 4-((4-CHLORO-3-HYDROXYPHENYL)AMINO)-.ALPHA.-4-PYRIDINYL-
METABOLITE -> PARENT
MINOR
FECAL
Structure of CGP-85903
METABOLITE -> PARENT
TRACE AMOUNT
FECAL; PLASMA
Structure of ZK-264851
METABOLITE -> PARENT
FECAL
Structure of 2-CHLORO-5-((4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)PHENOL
METABOLITE -> PARENT
FECAL
Structure of ZK-261557
METABOLITE -> PARENT
PLASMA
Structure of ZK-260120
METABOLITE -> PARENT
URINE
Structure of ZK-261557
METABOLITE -> PARENT
TRACE AMOUNT
FECAL
Structure of ZK-261557
METABOLITE -> PARENT
URINE
Structure of 1-PHTHALAZINEMETHANOL, 4-((4-CHLOROPHENYL)AMINO)-.ALPHA.-4-PYRIDINYL-
METABOLITE -> PARENT
TRACE AMOUNT
FECAL; PLASMA
Structure of 4-((4-((1-OXIDOPYRIDIN-1-IUM-4-YL)METHYL)PHTHALAZIN-1-YL)AMINO)PHENOL
METABOLITE -> PARENT
MINOR
URINE
Structure of 1-PHTHALAZINEMETHANOL, 4-((4-CHLOROPHENYL)AMINO)-.ALPHA.-4-PYRIDINYL-
METABOLITE -> PARENT
MINOR
URINE
Structure of PHENOL, 2-CHLORO-5-((4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-, 1-(HYDROGEN SULFATE)
METABOLITE -> PARENT
TRACE AMOUNT
FECAL
Structure of 4-((4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)PHENOL
METABOLITE -> PARENT
FECAL
Structure of CGP-85903
METABOLITE -> PARENT
MINOR
URINE
Structure of 1-((4-CHLOROPHENYL)(4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-1-DEOXY-.BETA.-D-GLUCOPYRANURONIC ACID
METABOLITE -> PARENT
TRACE AMOUNT
PLASMA
Structure of PHENOL, 2-CHLORO-5-((4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-, 1-(HYDROGEN SULFATE)
METABOLITE -> PARENT
MINOR
URINE
Structure of ZK-260120
METABOLITE -> PARENT
PLASMA
Structure of PHENOL, 2-CHLORO-5-((4-(4-PYRIDINYLMETHYL)-1-PHTHALAZINYL)AMINO)-, 1-(HYDROGEN SULFATE)
METABOLITE -> PARENT
TRACE AMOUNT
FECAL
Structure of ZK-276224
METABOLITE -> PARENT
FECAL
Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-((4-CHLOROPHENYL)(4-(4-PYRIDINYLCARBONYL)-1-PHTHALAZINYL)AMINO)-1-DEOXY-
METABOLITE -> PARENT
URINE
Related Record Type Details
Structure of VATALANIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC SINGLE ORAL DOSE ADMINISTRATION

AT STEADY-STATE

Biological Half-life PHARMACOKINETIC SINGLE ORAL DOSE ADMINISTRATION

AT STEADY-STATE

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