Drug Details

Name:

CHEMBL319537

PubChem ID:

44327660

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C48H63N7O9/c1-7-28(5)41(46(61)53-37(48(63)64)24-32-26-50-34-22-16-15-21-33(32)34)55-47(62)42(29(6)8-2)54-44(59)36(25-38(56)57)51-43(58)35(23-27(3)4)52-45(60)40(49)39(30-17-11-9-12-18-30)31-19-13-10-14-20-31/h9-22,26-29,35-37,39-42,50H,7-8,23-25,49H2,1-6H3,(H,51,58)(H,52,60)(H,53,61)(H,54,59)(H,55,62)(H,56,57)(H,63,64)/t28-,29-,35-,36-,37-,40-,41-,42-/m0/s1

SMILES:

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

Properties:

Formula:	C48H63N7O9	Atoms:	64
Molecular Weight:	882.055	Rotatable Bonds:	29
H-bond Acceptors:	15	H-bond Donors:	9
logP:	6.6462

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:255174

CHEMBL319537

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