Drug Details

Name:

CHEMBL324166

PubChem ID:

44340524

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C44H61N7O11/c1-8-24(5)37(42(59)49-35(44(61)62)20-28-22-45-31-13-11-10-12-30(28)31)51-43(60)38(25(6)9-2)50-41(58)34(21-36(54)55)48-39(56)32(18-23(3)4)47-40(57)33(46-26(7)52)19-27-14-16-29(53)17-15-27/h10-17,22-25,32-35,37-38,45,53H,8-9,18-21H2,1-7H3,(H,46,52)(H,47,57)(H,48,56)(H,49,59)(H,50,58)(H,51,60)(H,54,55)(H,61,62)/t24?,25?,32?,33-,34?,35?,37?,38?/m0/s1

SMILES:

CCC(C(C(=O)NC(C(=O)NC(C(=O)O)Cc1c[nH]c2c1cccc2)C(CC)C)NC(=O)C(NC(=O)C(NC(=O)[C@H](Cc1ccc(cc1)O)NC(=O)C)CC(C)C)CC(=O)O)C

Properties:

Formula:	C44H61N7O11	Atoms:	62
Molecular Weight:	863.995	Rotatable Bonds:	30
H-bond Acceptors:	17	H-bond Donors:	10
logP:	4.6304

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:283976

CHEMBL324166

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