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Name | CHEMBL3650368 |
---|---|
Molecular formula | C28H38F3N3O3 |
IUPAC name | [(2R,3aR,6aR)-2-[[(3S,4S)-3-methoxyoxan-4-yl]amino]-2,3,4,5,6,6a-hexahydro-1H-pentalen-3a-yl]-[(1S,4S)-5-[2-methyl-3-(trifluoromethyl)phenyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone |
Molecular weight | 521.625 |
Hydrogen bond acceptor | 8 |
Hydrogen bond donor | 1 |
XlogP | 4.2 |
Synonyms | BDBM140214 SCHEMBL15282948 US8906911, 23 |
Inchi Key | BCKGFYIRWFCIOP-BHDKNMHBSA-N |
Inchi ID | InChI=1S/C28H38F3N3O3/c1-17-22(28(29,30)31)6-3-7-24(17)33-14-21-12-20(33)15-34(21)26(35)27-9-4-5-18(27)11-19(13-27)32-23-8-10-37-16-25(23)36-2/h3,6-7,18-21,23,25,32H,4-5,8-16H2,1-2H3/t18-,19-,20+,21+,23+,25-,27-/m1/s1 |
PubChem CID | 89823655 |
ChEMBL | CHEMBL3650368 |
IUPHAR | N/A |
BindingDB | 140214 |
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 |
---|---|---|---|---|---|
20273 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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