Drug Details

Name:

CHEMBL431874

PubChem ID:

44320906

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C43H57N7O12/c1-6-24(4)37(42(60)49-34(43(61)62)20-27-22-44-29-15-11-10-14-28(27)29)50-38(56)30(16-17-35(52)53)46-41(59)33(21-36(54)55)48-39(57)31(18-23(2)3)47-40(58)32(45-25(5)51)19-26-12-8-7-9-13-26/h7-15,22-24,30-34,37,44H,6,16-21H2,1-5H3,(H,45,51)(H,46,59)(H,47,58)(H,48,57)(H,49,60)(H,50,56)(H,52,53)(H,54,55)(H,61,62)/t24-,30-,31-,32+,33-,34-,37-/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](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C)CC(C)C)CC(=O)O)CCC(=O)O)C

Properties:

Formula:	C43H57N7O12	Atoms:	62
Molecular Weight:	863.952	Rotatable Bonds:	31
H-bond Acceptors:	18	H-bond Donors:	10
logP:	3.7435

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:240182

CHEMBL431874

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