Drug Details

Name:

CHEMBL316092

PubChem ID:

44321031

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C41H48N6O9/c1-4-24(2)36(40(54)46-34(41(55)56)21-28-23-42-30-18-12-11-17-29(28)30)47-39(53)32(20-27-15-9-6-10-16-27)44-38(52)33(22-35(49)50)45-37(51)31(43-25(3)48)19-26-13-7-5-8-14-26/h5-18,23-24,31-34,36,42H,4,19-22H2,1-3H3,(H,43,48)(H,44,52)(H,45,51)(H,46,54)(H,47,53)(H,49,50)(H,55,56)/t24-,31+,32-,33-,34-,36-/m0/s1

SMILES:

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

Properties:

Formula:	C41H48N6O9	Atoms:	56
Molecular Weight:	768.855	Rotatable Bonds:	25
H-bond Acceptors:	14	H-bond Donors:	8
logP:	4.1996

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:240402

CHEMBL316092

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