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Name | CHEMBL370082 |
---|---|
Molecular formula | C28H36FN3O2 |
IUPAC name | 1-(3-acetylphenyl)-3-[(1R,2S)-2-[[(3R)-3-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea |
Molecular weight | 465.613 |
Hydrogen bond acceptor | 4 |
Hydrogen bond donor | 2 |
XlogP | 5.2 |
Synonyms | SCHEMBL18840907 1-(3-Acetyl-phenyl)-3-{(1R,2S)-2-[(R)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea BDBM50163645 |
Inchi Key | ASRDPULQBHFPGU-RWCIVJTCSA-N |
Inchi ID | InChI=1S/C28H36FN3O2/c1-20(33)23-8-4-9-26(17-23)30-28(34)31-27-10-3-2-7-24(27)19-32-15-5-6-22(18-32)16-21-11-13-25(29)14-12-21/h4,8-9,11-14,17,22,24,27H,2-3,5-7,10,15-16,18-19H2,1H3,(H2,30,31,34)/t22-,24+,27-/m1/s1 |
PubChem CID | 11385766 |
ChEMBL | CHEMBL370082 |
IUPHAR | N/A |
BindingDB | 50163645 |
DrugBank | N/A |
Structure | ![]() |
Lipinski's druglikeness | This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
13448 | C-C chemokine receptor type 3 | P51677 | CCR3 | Homo sapiens (Human) | 355 |
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