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Name | CHEMBL318311 |
---|---|
Molecular formula | C29H37F3N4O4 |
IUPAC name | (2,4-dimethyl-1-oxidopyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]piperidin-1-yl]-4-methylpiperidin-1-yl]methanone |
Molecular weight | 562.634 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 0 |
XlogP | 4.8 |
Synonyms | (2,4-dimethyl-1-oxido-pyridin-1-ium-3-yl)-[4-[4-[(Z)-N-ethoxy-C-[4-(trifluoromethoxy)phenyl]carbonimidoyl]-1-piperidyl]-4-methyl-1-piperidyl]methanone (2,4-Dimethyl-1-oxy-pyridin-3-yl)-{4-[ethoxyimino-(4-trifluoromethoxy-phenyl)-methyl]-4''-methyl-[1,4'']bipiperidinyl-1''-yl}-methanone BDBM50115527 Pyridine, 3-[[4-[(Z)-(ethoxyimino)[4-(trifluoromethoxy)phenyl]methyl]-4'-methyl[1,4'-bipiperidin]-1'-yl]carbonyl]-2,4-dimethyl-, 1-oxide |
Inchi Key | MTHXVPHSKKLNEE-MHTZHOPKSA-N |
Inchi ID | InChI=1S/C29H37F3N4O4/c1-5-39-33-26(22-6-8-24(9-7-22)40-29(30,31)32)23-11-15-35(16-12-23)28(4)13-18-34(19-14-28)27(37)25-20(2)10-17-36(38)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3/b33-26+ |
PubChem CID | 9579331 |
ChEMBL | CHEMBL318311 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand is heavier than 500 daltons. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
213708 | C-C chemokine receptor type 5 | P51682 | Ccr5 | Mus musculus (Mouse) | 354 |
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