Drug Details

Name:

CHEMBL302578

PubChem ID:

44311446

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C51H67N7O10/c1-9-30(5)43(50(66)58(8)45(31(6)10-2)49(65)56-40(51(67)68)26-35-28-52-37-24-18-17-23-36(35)37)57-47(63)39(27-41(60)61)54-46(62)38(25-29(3)4)55-48(64)44(53-32(7)59)42(33-19-13-11-14-20-33)34-21-15-12-16-22-34/h11-24,28-31,38-40,42-45,52H,9-10,25-27H2,1-8H3,(H,53,59)(H,54,62)(H,55,64)(H,56,65)(H,57,63)(H,60,61)(H,67,68)/t30?,31?,38?,39?,40?,43?,44-,45?/m0/s1

SMILES:

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

Properties:

Formula:	C51H67N7O10	Atoms:	68
Molecular Weight:	938.119	Rotatable Bonds:	31
H-bond Acceptors:	16	H-bond Donors:	8
logP:	6.4655

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:213818

CHEMBL302578

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