Drug Details

Name:

CHEMBL350931

PubChem ID:

44377636

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C31H31F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,18-19,30,35-36,39H,13,15-17,20-21H2/t30-/m0/s1

SMILES:

O[C@H](c1cccnc1)CNCCc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)N1CCN(C1=O)Cc1ccc(c(c1)F)F

Properties:

Formula:	C31H31F2N5O4S	Atoms:	43
Molecular Weight:	607.671	Rotatable Bonds:	12
H-bond Acceptors:	9	H-bond Donors:	3
logP:	6.0161

Targets:

Name	Uniprot ID	Source	References	Interaction
Beta-1 adrenergic receptor	ADRB1_HUMAN	BindingDB	-	shows
Beta-3 adrenergic receptor	ADRB3_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:373760

CHEMBL350931

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