Drug Details

Name:

CHEMBL86737

PubChem ID:

44320779

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C41H55N7O10/c1-7-23(4)35(40(56)43-24(5)36(52)47-33(41(57)58)19-27-21-42-29-16-12-11-15-28(27)29)48-39(55)32(20-34(50)51)46-37(53)30(17-22(2)3)45-38(54)31(44-25(6)49)18-26-13-9-8-10-14-26/h8-16,21-24,30-33,35,42H,7,17-20H2,1-6H3,(H,43,56)(H,44,49)(H,45,54)(H,46,53)(H,47,52)(H,48,55)(H,50,51)(H,57,58)/t23-,24-,30-,31+,32-,33-,35-/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)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C)CC(C)C)CC(=O)O)C

Properties:

Formula:	C41H55N7O10	Atoms:	58
Molecular Weight:	805.916	Rotatable Bonds:	28
H-bond Acceptors:	16	H-bond Donors:	9
logP:	3.8986

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

enlarge table

Synonyms:

CHEBI:239897

CHEMBL86737

enlarge table