Drug Details

Name:

CHEMBL479341

PubChem ID:

42639313

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C31H38N2O5S.ClH/c1-39(36,37)33-31(35)28-18-17-26(21-30(28)38-27-11-7-2-3-8-12-27)24-15-13-23(14-16-24)19-20-32-22-29(34)25-9-5-4-6-10-25;/h4-6,9-10,13-18,21,27,29,32,34H,2-3,7-8,11-12,19-20,22H2,1H3,(H,33,35);1H/t29-;/m0./s1

SMILES:

O=C(c1ccc(cc1OC1CCCCCC1)c1ccc(cc1)CCNC[C@@H](c1ccccc1)O)NS(=O)(=O)C.Cl

Properties:

Formula:	C31H39ClN2O5S	Atoms:	40
Molecular Weight:	587.17	Rotatable Bonds:	12
H-bond Acceptors:	7	H-bond Donors:	4
logP:	7.6749

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:619970

CHEMBL479341

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