Drug Details

Name:

CHEMBL87252

PubChem ID:

44321125

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C42H59N7O9/c1-7-24(5)35(40(55)47-33(42(57)58)20-27-22-44-30-17-13-12-16-28(27)30)49-41(56)36(25(6)8-2)48-39(54)32(21-34(50)51)46-38(53)31(18-23(3)4)45-37(52)29(43)19-26-14-10-9-11-15-26/h9-17,22-25,29,31-33,35-36,44H,7-8,18-21,43H2,1-6H3,(H,45,52)(H,46,53)(H,47,55)(H,48,54)(H,49,56)(H,50,51)(H,57,58)/t24-,25-,29-,31-,32-,33-,35-,36-/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](Cc1ccccc1)N)CC(C)C)CC(=O)O)C

Properties:

Formula:	C42H59N7O9	Atoms:	58
Molecular Weight:	805.959	Rotatable Bonds:	28
H-bond Acceptors:	15	H-bond Donors:	9
logP:	5.0568

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:240537

CHEMBL87252

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