Drug Details

Name:

CHEMBL112605

PubChem ID:

19074176

Pathway:

Show KEGG pathways

InChI:

InChI=1S/C41H59N9O10/c1-8-22(5)34(39(57)48-32(41(59)60)15-25-18-43-28-13-11-10-12-27(25)28)50-40(58)35(23(6)9-2)49-38(56)31(17-33(52)53)47-36(54)29(14-21(3)4)46-37(55)30(45-24(7)51)16-26-19-42-20-44-26/h10-13,18-23,29-32,34-35,43H,8-9,14-17H2,1-7H3,(H,42,44)(H,45,51)(H,46,55)(H,47,54)(H,48,57)(H,49,56)(H,50,58)(H,52,53)(H,59,60)

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(Cc1[nH]cnc1)NC(=O)C)CC(C)C)CC(=O)O)C

Properties:

Formula:	C41H59N9O10	Atoms:	60
Molecular Weight:	837.961	Rotatable Bonds:	30
H-bond Acceptors:	17	H-bond Donors:	10
logP:	3.6479

Targets:

Name	Uniprot ID	Source	References	Interaction
Endothelin B receptor	EDNRB_RAT	BindingDB	-	shows
Endothelin-1 receptor	EDNRA_HUMAN	BindingDB	-	shows

enlarge table

Synonyms:

CHEBI:284112

CHEMBL112605

enlarge table