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Details

Stereochemistry ACHIRAL
Molecular Formula C28H24FN3O5
Molecular Weight 501.5057
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CABOZANTINIB

SMILES

COC1=C(OC)C=C2C(OC3=CC=C(NC(=O)C4(CC4)C(=O)NC5=CC=C(F)C=C5)C=C3)=CC=NC2=C1

InChI

InChIKey=ONIQOQHATWINJY-UHFFFAOYSA-N
InChI=1S/C28H24FN3O5/c1-35-24-15-21-22(16-25(24)36-2)30-14-11-23(21)37-20-9-7-19(8-10-20)32-27(34)28(12-13-28)26(33)31-18-5-3-17(29)4-6-18/h3-11,14-16H,12-13H2,1-2H3,(H,31,33)(H,32,34)

HIDE SMILES / InChI
Molecular Formula C28H24FN3O5
Molecular Weight 501.5057
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 19:29:29 UTC 2023
Edited
by admin
on Fri Dec 15 19:29:29 UTC 2023
Record UNII
1C39JW444G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CABOZANTINIB
DASH   INN   USAN   VANDF   WHO-DD  
USAN   INN  
Official Name English
1,1-CYCLOPROPANEDICARBOXAMIDE, N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-
Systematic Name English
Cabozantinib [WHO-DD]
Common Name English
BMS-907351 FREE BASE
Code English
XL-184 FREE BASE
Code English
CABOZANTINIB [VANDF]
Common Name English
cabozantinib [INN]
Common Name English
CABOZANTINIB [MI]
Common Name English
N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
Systematic Name English
1,1-CYCLOPROPANEDICARBOXAMIDE, N'-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N-(4-FLUOROPHENYL)-
Systematic Name English
CABOZANTINIB [USAN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1967
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
NCI_THESAURUS C1742
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
FDA ORPHAN DRUG 297109
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
NCI_THESAURUS C129825
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
LIVERTOX NBK548279
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
NDF-RT N0000175605
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
EMA ASSESSMENT REPORTS COMETRIQ (AUTHORIZED: THYROID NEOPLASMS)
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
WHO-ATC L01XE26
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
NCI_THESAURUS C93259
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
FDA ORPHAN DRUG 552916
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
Code System Code Type Description
WIKIPEDIA
Cabozantinib
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
MERCK INDEX
m11686
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
USAN
WW-154
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
DAILYMED
1C39JW444G
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
DRUG BANK
DB08875
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
EVMPD
SUB93452
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
IUPHAR
5887
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
INN
9297
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105717
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
RXCUI
1363268
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY RxNorm
DRUG CENTRAL
4715
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
NCI_THESAURUS
C52200
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
FDA UNII
1C39JW444G
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
PUBCHEM
25102847
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
LACTMED
Cabozantinib
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
CAS
849217-68-1
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
EPA CompTox
DTXSID10233968
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
SMS_ID
100000141570
Created by admin on Fri Dec 15 19:29:29 UTC 2023 , Edited by admin on Fri Dec 15 19:29:29 UTC 2023
PRIMARY
Related Record Type Details
BDNF/NT-3 GROWTH FACTORS RECEPTOR
TARGET -> INHIBITOR
MRP-2
TRANSPORTER -> SUBSTRATE
MATE-2
TRANSPORTER -> INHIBITOR
IC50
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 1
TARGET -> INHIBITOR
ANGIOPOIETIN-1 RECEPTOR
TARGET -> INHIBITOR
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 2
TARGET -> INHIBITOR
IC50
MULTIDRUG AND TOXIN EXTRUSION PROTEIN 1
TRANSPORTER -> INHIBITOR
IC50
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET V804M
TARGET -> INHIBITOR RESISTANT
IC50
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET M918T
TARGET -> INHIBITOR
IC50
PROTO-ONCOGENE TYROSINE-PROTEIN KINASE RECEPTOR RET V804L
TARGET -> INHIBITOR RESISTANT
IC50
Structure of CABOZANTINIB S-MALATE
SALT/SOLVATE -> PARENT
PLASMA PROTEIN FRACTION (HUMAN)
BINDER->LIGAND
BINDING
VASCULAR ENDOTHELIAL GROWTH FACTOR RECEPTOR 3
TARGET -> INHIBITOR
Structure of Cabozantinib Hydrochloride
SALT/SOLVATE -> PARENT
Related Record Type Details
Structure of METHYL 1-(((4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)AMINO)CARBONYL)CYCLOPROPANECARBOXYLATE
METABOLITE -> PARENT
PLASMA
Structure of N-(4-((6,7-DIMETHOXY-1-OXIDO-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUOROPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of 1-(((4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)AMINO)CARBONYL)CYCLOPROPANECARBOXYLIC ACID
METABOLITE -> PARENT
MAJOR
URINE
Structure of N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUORO-2-(SULFOOXY)PHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of DEQUINOLINYL CABOZANTINIB SULFATE
METABOLITE -> PARENT
MAJOR
URINE
Structure of 1-(((4-((7-METHOXY-6-(SULFOOXY)-4-QUINOLINYL)OXY)PHENYL)AMINO)CARBONYL)CYCLOPROPANECARBOXYLIC ACID
METABOLITE -> PARENT
MAJOR
PLASMA
Structure of N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUORO-2-HYDROXYPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
METABOLITE -> PARENT
MAJOR
FECAL
Structure of N-(4-FLUOROPHENYL)-N'-(4-((6-HYDROXY-7-METHOXY-4-QUINOLINYL)OXY)PHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
METABOLITE -> PARENT
MAJOR
FECAL
Structure of N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUORO-3-(SULFOOXY)PHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
METABOLITE -> PARENT
FECAL
Structure of 4-(((1-(((4-FLUOROPHENYL)AMINO)CARBONYL)CYCLOPROPYL)CARBONYL)AMINO)PHENYL .BETA.-D-GLUCOPYRANOSIDURONIC ACID
METABOLITE -> PARENT
MAJOR
URINE
Structure of N-(4-((6,7-DIMETHOXY-4-QUINOLINYL)OXY)PHENYL)-N'-(4-FLUORO-3-HYDROXYPHENYL)-1,1-CYCLOPROPANEDICARBOXAMIDE
METABOLITE -> PARENT
FECAL
Related Record Type Details
Structure of CABOZANTINIB
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Volume of Distribution PHARMACOKINETIC
Biological Half-life PHARMACOKINETIC
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

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