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Name | CHEMBL1684705 |
---|---|
Molecular formula | C25H40FN3O3 |
IUPAC name | cyclopentyl-[(1S,4S)-5-[(1S,3R)-3-[(3-fluorooxan-4-yl)amino]-1-propan-2-ylcyclopentanecarbonyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]methanone |
Molecular weight | 449.611 |
Hydrogen bond acceptor | 5 |
Hydrogen bond donor | 1 |
XlogP | 2.9 |
Synonyms | BDBM50338134 ((1S,4S)-5-(cyclopentanecarbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)((1S,3R)-3-(3-fluorotetrahydro-2H-pyran-4-ylamino)-1-isopropylcyclopentyl)methanone |
Inchi Key | AKMCXNQIYOMGQU-ILAYYOKASA-N |
Inchi ID | InChI=1S/C25H40FN3O3/c1-16(2)25(9-7-18(12-25)27-22-8-10-32-15-21(22)26)24(31)29-14-19-11-20(29)13-28(19)23(30)17-5-3-4-6-17/h16-22,27H,3-15H2,1-2H3/t18-,19+,20+,21?,22?,25+/m1/s1 |
PubChem CID | 53326901 |
ChEMBL | CHEMBL1684705 |
IUPHAR | N/A |
BindingDB | 50338134 |
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 |
---|---|---|---|---|---|
7678 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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