Drug Details

Name:

CHEMBL94907

PubChem ID:

44327870

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C47H59N7O10/c1-7-27(4)40(45(61)53-37(47(63)64)23-32-25-48-34-21-15-14-20-33(32)34)54-42(58)28(5)49-43(59)36(24-38(56)57)51-44(60)35(22-26(2)3)52-46(62)41(50-29(6)55)39(30-16-10-8-11-17-30)31-18-12-9-13-19-31/h8-21,25-28,35-37,39-41,48H,7,22-24H2,1-6H3,(H,49,59)(H,50,55)(H,51,60)(H,52,62)(H,53,61)(H,54,58)(H,56,57)(H,63,64)/t27-,28-,35-,36-,37-,40-,41-/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](C(c1ccccc1)c1ccccc1)NC(=O)C)CC(C)C)CC(=O)O)C)C

Properties:

Formula:	C47H59N7O10	Atoms:	64
Molecular Weight:	882.012	Rotatable Bonds:	29
H-bond Acceptors:	16	H-bond Donors:	9
logP:	5.488

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:255612

CHEMBL94907

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