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Name | CHEMBL3115097 |
---|---|
Molecular formula | C25H34F3N5O4 |
IUPAC name | (3aR,5R,6aR)-5-[(3-methoxyoxan-4-yl)amino]-N-methyl-3a-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carboxamide |
Molecular weight | 525.573 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 2 |
XlogP | 0.3 |
Synonyms | BDBM50446862 SCHEMBL15444151 |
Inchi Key | AMWVSLPKFJWLJF-KAMXTENUSA-N |
Inchi ID | InChI=1S/C25H34F3N5O4/c1-29-23(35)33-12-17-8-18(31-20-4-6-37-13-21(20)36-2)9-24(17,14-33)22(34)32-5-3-19-15(11-32)7-16(10-30-19)25(26,27)28/h7,10,17-18,20-21,31H,3-6,8-9,11-14H2,1-2H3,(H,29,35)/t17-,18+,20?,21?,24-/m0/s1 |
PubChem CID | 72948001 |
ChEMBL | CHEMBL3115097 |
IUPHAR | N/A |
BindingDB | 50446862 |
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 |
---|---|---|---|---|---|
9324 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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