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Name | CHEMBL1684706 |
---|---|
Molecular formula | C23H35F4N3O4 |
IUPAC name | 1,1,1-trifluoropropan-2-yl (1S,4S)-5-[(1S,3R)-3-[(3-fluorooxan-4-yl)amino]-1-propan-2-ylcyclopentanecarbonyl]-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
Molecular weight | 493.544 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 1 |
XlogP | 3.3 |
Synonyms | BDBM50338135 (1S,4S)-1,1,1-trifluoropropan-2-yl 5-((1S,3R)-3-(3-fluorotetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentanecarbonyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylate |
Inchi Key | AYBACIIUMAZHGP-XHCWLKBBSA-N |
Inchi ID | InChI=1S/C23H35F4N3O4/c1-13(2)22(6-4-15(9-22)28-19-5-7-33-12-18(19)24)20(31)29-10-17-8-16(29)11-30(17)21(32)34-14(3)23(25,26)27/h13-19,28H,4-12H2,1-3H3/t14?,15-,16+,17+,18?,19?,22+/m1/s1 |
PubChem CID | 53317028 |
ChEMBL | CHEMBL1684706 |
IUPHAR | N/A |
BindingDB | 50338135 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand satisfies Lipinski's rule of five. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
17286 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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