Drug Details

Name:

CHEMBL315658

PubChem ID:

44321033

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C38H50N6O9/c1-6-21(3)32(36(50)42-30(38(52)53)18-25-20-39-27-16-12-11-15-26(25)27)44-37(51)33(22(4)7-2)43-35(49)29(19-31(46)47)41-34(48)28(40-23(5)45)17-24-13-9-8-10-14-24/h8-16,20-22,28-30,32-33,39H,6-7,17-19H2,1-5H3,(H,40,45)(H,41,48)(H,42,50)(H,43,49)(H,44,51)(H,46,47)(H,52,53)/t21-,22-,28+,29-,30-,32-,33-/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](Cc1ccccc1)NC(=O)C)CC(=O)O)C

Properties:

Formula:	C38H50N6O9	Atoms:	53
Molecular Weight:	734.838	Rotatable Bonds:	25
H-bond Acceptors:	14	H-bond Donors:	8
logP:	4.003

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:240404

CHEMBL315658

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