Sorafenib
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
Molecular Identity
Sorafenib
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID: 216239
Sorafenib is a member of the class of phenylureas that is urea in which one of the nitrogens is substituted by a 4-chloro-3-trifluorophenyl group while the other is substituted by a phenyl group which, in turn, is substituted at the para position by a [2-(methylcarbamoyl)pyridin-4-yl]oxy group. It has a role as an anticoronaviral agent, a ferroptosis inducer, an antineoplastic agent, a tyrosine kinase inhibitor, an angiogenesis inhibitor and an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor. It is a member of phenylureas, a pyridinecarboxamide, an aromatic ether, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes.
2D Structure
Properties
C21H16ClF3N4O3
Molecular Formula
464.80
Molecular Weight
g/mol
464.0863
Exact Mass
Da
4.1
XLogP
Drug-like (Lipinski: < 5)
92.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
7
H-Bond Acceptors
646
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Sorafenib284461-73-0BAY 43-9006sorafenibum4-[4-({[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl}amino)phenoxy]-N-methylpyridine-2-carboxamide4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide4-[4-[[[[4-chloro-3-(trifluoromethyl)phenyl]amino]carbonyl]amino]phenoxy]-N-methyl-2-pyridinecarboxamideBAY-43-9006N-(4-Chloro-3-(trifluoromethyl)phenyl)-N'-(4-(2-(N-methylcarbamoyl)-4-pyridyloxy)phenyl)urea9ZOQ3TZI874-(4-((((4-Chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)phenoxy)-N-methyl-2-pyridinecarboxamideDTXSID7041128BAY-439006CHEBI:50924BAY 439006
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Sorafenib
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