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Ligand

NameCHEMBL112991
Molecular formulaC28H22Cl2F3N3O3S
IUPAC name(E)-N-[2-[2,4-dichloro-N-methyl-3-[(2-methyl-1,3-benzothiazol-4-yl)oxymethyl]anilino]-2-oxoethyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
Molecular weight608.457
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP7.2
SynonymsBDBM50074980
L017259
(E)-N-({[2,4-Dichloro-3-(2-methyl-benzothiazol-4-yloxymethyl)-phenyl]-methyl-carbamoyl}-methyl)-3-(4-trifluoromethyl-phenyl)-acrylamide
Inchi KeyACAUQEGNMPUJPW-MDWZMJQESA-N
Inchi IDInChI=1S/C28H22Cl2F3N3O3S/c1-16-35-27-22(4-3-5-23(27)40-16)39-15-19-20(29)11-12-21(26(19)30)36(2)25(38)14-34-24(37)13-8-17-6-9-18(10-7-17)28(31,32)33/h3-13H,14-15H2,1-2H3,(H,34,37)/b13-8+
PubChem CID9851817
ChEMBLCHEMBL112991
IUPHARN/A
BindingDB50074980
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
1386B2 bradykinin receptorO70526BDKRB2Cavia porcellus (Guinea pig)372

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