Drug Details

Name:

CHEMBL405709

PubChem ID:

44327778

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C53H63N7O10/c1-6-32(4)46(51(67)58-41(27-34-18-10-7-11-19-34)49(65)59-43(53(69)70)28-37-30-54-39-25-17-16-24-38(37)39)60-50(66)42(29-44(62)63)56-48(64)40(26-31(2)3)57-52(68)47(55-33(5)61)45(35-20-12-8-13-21-35)36-22-14-9-15-23-36/h7-25,30-32,40-43,45-47,54H,6,26-29H2,1-5H3,(H,55,61)(H,56,64)(H,57,68)(H,58,67)(H,59,65)(H,60,66)(H,62,63)(H,69,70)/t32-,40-,41-,42-,43-,46-,47-/m0/s1

SMILES:

CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)Cc1ccccc1)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

Properties:

Formula:	C53H63N7O10	Atoms:	70
Molecular Weight:	958.108	Rotatable Bonds:	31
H-bond Acceptors:	16	H-bond Donors:	9
logP:	6.7108

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:255391

CHEMBL405709

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