Drug Details

Name:

CHEMBL556717

PubChem ID:

16725330

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C24H21FN2O3S/c1-31(29,30)22-12-8-19(9-13-22)23(18-6-10-21(25)11-7-18)14-15-27-24(28)20-4-2-17(16-26)3-5-20/h2-13,23H,14-15H2,1H3,(H,27,28)/t23-/m0/s1

SMILES:

N#Cc1ccc(cc1)C(=O)NCC[C@H](c1ccc(cc1)S(=O)(=O)C)c1ccc(cc1)F

Properties:

Formula:	C24H21FN2O3S	Atoms:	31
Molecular Weight:	436.499	Rotatable Bonds:	8
H-bond Acceptors:	5	H-bond Donors:	1
logP:	5.52458

Targets:

Name	Uniprot ID	Source	References	Interaction
Cytochrome P450 2C19	CP2CJ_HUMAN	BindingDB	-	shows
Cytochrome P450 2C9	CP2C9_HUMAN	BindingDB	-	shows
Cytochrome P450 2J2	CP2J2_HUMAN	BindingDB	-	shows
Epoxide hydrolase 2	HYES_HUMAN	BindingDB	-	shows

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Synonyms:

4-Cyano-N-{(3s)-3-(4-Fluorophenyl)-3-[4-(Methylsulfonyl)phenyl]propyl}benz

CHEBI:668073

CHEMBL556717

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