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Ligand

NameCHEMBL113502
Molecular formulaC25H27N5O4
IUPAC nameN-[2-cyano-4-methoxy-3-[(2-methylquinolin-8-yl)oxymethyl]phenyl]-2-(ethylcarbamoylamino)-N-methylacetamide
Molecular weight461.522
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP2.6
SynonymsSCHEMBL6578818
BDBM50074987
L018196
N-[2-Cyano-4-methoxy-3-(2-methyl-quinolin-8-yloxymethyl)-phenyl]-2-(3-ethyl-ureido)-N-methyl-acetamide
Inchi KeyGSMWKYQZPCPTFR-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N5O4/c1-5-27-25(32)28-14-23(31)30(3)20-11-12-21(33-4)19(18(20)13-26)15-34-22-8-6-7-17-10-9-16(2)29-24(17)22/h6-12H,5,14-15H2,1-4H3,(H2,27,28,32)
PubChem CID22008916
ChEMBLCHEMBL113502
IUPHARN/A
BindingDB50074987
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
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GLASS IDNameUniProtGeneSpeciesLength
104278B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391
104279B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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