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Ligand

NameCHEMBL554206
Molecular formulaC30H28Cl3N5O4
IUPAC name4-[(E)-3-[[2-[2,4-dichloro-N-methyl-3-[(3-methylquinoxalin-5-yl)oxymethyl]anilino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-N-methylbenzamide;hydrochloride
Molecular weight628.935
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyAFSNDUSSWFDOIU-KYIGKLDSSA-N
Inchi IDInChI=1S/C30H27Cl2N5O4.ClH/c1-18-15-34-23-5-4-6-25(29(23)36-18)41-17-21-22(31)12-13-24(28(21)32)37(3)27(39)16-35-26(38)14-9-19-7-10-20(11-8-19)30(40)33-2;/h4-15H,16-17H2,1-3H3,(H,33,40)(H,35,38);1H/b14-9+;
PubChem CID45260029
ChEMBLCHEMBL554206
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
Partition coefficient log P of this ligand is not available.

Known GPCRs

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Total entries: 2
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
4434B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372
4435B2 bradykinin receptorP30411BDKRB2Homo sapiens (Human)391

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