Drug Details

Name:

CHEMBL327523

PubChem ID:

44327868

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C48H71N7O10/c1-8-26(5)40(45(62)53-37(47(64)65)18-32-24-49-34-13-11-10-12-33(32)34)55-46(63)41(27(6)9-2)54-43(60)36(19-39(57)58)52-42(59)35(14-25(3)4)51-44(61)38(50-28(7)56)23-48-20-29-15-30(21-48)17-31(16-29)22-48/h10-13,24-27,29-31,35-38,40-41,49H,8-9,14-23H2,1-7H3,(H,50,56)(H,51,61)(H,52,59)(H,53,62)(H,54,60)(H,55,63)(H,57,58)(H,64,65)/t26-,27-,29?,30?,31?,35-,36-,37-,38-,40-,41-,48?/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](CC12CC3CC(C2)CC(C1)C3)NC(=O)C)CC(C)C)CC(=O)O)C

Properties:

Formula:	C48H71N7O10	Atoms:	65
Molecular Weight:	906.118	Rotatable Bonds:	30
H-bond Acceptors:	16	H-bond Donors:	9
logP:	6.2886

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:255610

CHEMBL327523

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