Drug Details

Name:

CHEMBL366592

PubChem ID:

44384612

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C43H58N8O9/c1-6-25(4)37(41(57)49-34(43(59)60)21-28-23-45-30-16-11-10-15-29(28)30)50-40(56)35-17-12-18-51(35)42(58)33(22-36(44)53)48-38(54)31(19-24(2)3)47-39(55)32(46-26(5)52)20-27-13-8-7-9-14-27/h7-11,13-16,23-25,31-35,37,45H,6,12,17-22H2,1-5H3,(H2,44,53)(H,46,52)(H,47,55)(H,48,54)(H,49,57)(H,50,56)(H,59,60)/t25?,31-,32+,33-,34-,35?,37-/m0/s1

SMILES:

CCC([C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C)CC(C)C)CC(=O)N)C

Properties:

Formula:	C43H58N8O9	Atoms:	60
Molecular Weight:	830.969	Rotatable Bonds:	27
H-bond Acceptors:	16	H-bond Donors:	8
logP:	4.0329

Targets:

Name	Uniprot ID	Source	References	Interaction
Endothelin B receptor	EDNRB_RAT	BindingDB	-	shows
Endothelin-1 receptor	EDNRA_HUMAN	BindingDB	-	shows

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Synonyms:

CHEBI:389558

CHEMBL366592

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