Drug Details

Name:

CHEMBL315047

PubChem ID:

15297025

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C48H63N7O10/c1-8-27(5)41(46(62)53-39(48(64)65)23-33-25-49-35-17-13-12-16-34(33)35)55-47(63)42(28(6)9-2)54-45(61)38(24-40(57)58)52-43(59)36(20-26(3)4)51-44(60)37(50-29(7)56)22-30-18-19-31-14-10-11-15-32(31)21-30/h10-19,21,25-28,36-39,41-42,49H,8-9,20,22-24H2,1-7H3,(H,50,56)(H,51,60)(H,52,59)(H,53,62)(H,54,61)(H,55,63)(H,57,58)(H,64,65)/t27-,28-,36-,37+,38-,39-,41-,42-/m0/s1

SMILES:

CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccc2c(c1)cccc2)NC(=O)C)CC(C)C)CC(=O)O)C

Properties:

Formula:	C48H63N7O10	Atoms:	65
Molecular Weight:	898.055	Rotatable Bonds:	30
H-bond Acceptors:	16	H-bond Donors:	9
logP:	6.078

Targets:

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

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Synonyms:

CHEBI:240379

CHEMBL315047

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