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Ligand

NameCHEMBL114732
Molecular formulaC28H25Cl2N3O4S
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-1,3-benzothiazol-4-yl)oxymethyl]anilino]-2-oxoethyl]-3-(3-methoxyphenyl)prop-2-enamide
Molecular weight570.485
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP6.3
SynonymsBDBM50074982
(E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-(3-methoxy-phenyl)-acrylamide
Inchi KeyAEFMWUUPZRPSMQ-JLHYYAGUSA-N
Inchi IDInChI=1S/C28H25Cl2N3O4S/c1-17-32-28-23(8-5-9-24(28)38-17)37-16-20-21(29)11-12-22(27(20)30)33(2)26(35)15-31-25(34)13-10-18-6-4-7-19(14-18)36-3/h4-14H,15-16H2,1-3H3,(H,31,34)/b13-10+
PubChem CID18941145
ChEMBLCHEMBL114732
IUPHARN/A
BindingDB50074982
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Known GPCRs

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Total entries: 1
Page:  / 1 

GLASS IDNameUniProtGeneSpeciesLength
3418B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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