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Name | CHEMBL404269 |
---|---|
Molecular formula | C22H25F3N4O4 |
IUPAC name | 2-amino-N-[2-[[(3R)-1-[(3-hydroxy-4-methoxyphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-5-(trifluoromethyl)benzamide |
Molecular weight | 466.461 |
Hydrogen bond acceptor | 9 |
Hydrogen bond donor | 4 |
XlogP | 2.6 |
Synonyms | BDBM50375755 |
Inchi Key | AMKLMRVIQNTLKG-OAHLLOKOSA-N |
Inchi ID | InChI=1S/C22H25F3N4O4/c1-33-19-5-2-13(8-18(19)30)11-29-7-6-15(12-29)28-20(31)10-27-21(32)16-9-14(22(23,24)25)3-4-17(16)26/h2-5,8-9,15,30H,6-7,10-12,26H2,1H3,(H,27,32)(H,28,31)/t15-/m1/s1 |
PubChem CID | 44453325 |
ChEMBL | CHEMBL404269 |
IUPHAR | N/A |
BindingDB | 50375755 |
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 |
---|---|---|---|---|---|
8986 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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