Drug Details

Name:

CHEMBL89416

PubChem ID:

44321080

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C39H58N8O10/c1-8-22(5)32(37(54)45-30(39(56)57)17-26-19-40-20-41-26)47-38(55)33(23(6)9-2)46-36(53)29(18-31(49)50)44-34(51)27(15-21(3)4)43-35(52)28(42-24(7)48)16-25-13-11-10-12-14-25/h10-14,19-23,27-30,32-33H,8-9,15-18H2,1-7H3,(H,40,41)(H,42,48)(H,43,52)(H,44,51)(H,45,54)(H,46,53)(H,47,55)(H,49,50)(H,56,57)/t22-,23-,27-,28+,29-,30?,32-,33-/m0/s1

SMILES:

CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)NC(C(=O)O)Cc1[nH]cnc1)[C@H](CC)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:	C39H58N8O10	Atoms:	57
Molecular Weight:	798.925	Rotatable Bonds:	30
H-bond Acceptors:	17	H-bond Donors:	9
logP:	3.1666

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:240469

CHEMBL89416

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