Drug Details

Name:

CHEMBL419495

PubChem ID:

44321090

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C48H63N7O8/c1-7-29(5)42(47(62)51-34(27-56)24-33-26-50-36-22-16-15-21-35(33)36)55-48(63)43(30(6)8-2)54-45(60)38(25-39(57)58)52-44(59)37(23-28(3)4)53-46(61)41(49)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-30,34,37-38,40-43,50H,7-8,23-25,49H2,1-6H3,(H,51,62)(H,52,59)(H,53,61)(H,54,60)(H,55,63)(H,57,58)/t29-,30-,34?,37-,38-,41+,42-,43-/m0/s1

SMILES:

O=CC(Cc1c[nH]c2c1cccc2)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](C(c1ccccc1)c1ccccc1)N)CC(C)C)CC(=O)O

Properties:

Formula:	C48H63N7O8	Atoms:	63
Molecular Weight:	866.056	Rotatable Bonds:	29
H-bond Acceptors:	14	H-bond Donors:	8
logP:	6.7605

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:240484

CHEMBL419495

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