Drug Details

Name:

CHEMBL173301

PubChem ID:

44385417

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C49H62N8O9/c1-6-29(4)42(46(62)55-38(49(65)66)25-33-27-51-35-21-14-13-20-34(33)35)56-45(61)39-22-15-23-57(39)48(64)37(26-40(50)59)54-44(60)36(24-28(2)3)53-47(63)43(52-30(5)58)41(31-16-9-7-10-17-31)32-18-11-8-12-19-32/h7-14,16-21,27-29,36-39,41-43,51H,6,15,22-26H2,1-5H3,(H2,50,59)(H,52,58)(H,53,63)(H,54,60)(H,55,62)(H,56,61)(H,65,66)/t29?,36-,37-,38-,39?,42-,43-/m0/s1

SMILES:

CCC([C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)C1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C(c1ccccc1)c1ccccc1)NC(=O)C)CC(C)C)CC(=O)N)C

Properties:

Formula:	C49H62N8O9	Atoms:	66
Molecular Weight:	907.065	Rotatable Bonds:	28
H-bond Acceptors:	16	H-bond Donors:	8
logP:	5.6223

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:391547

CHEMBL173301

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