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Name | CHEMBL1089629 |
---|---|
Molecular formula | C29H32F6N4O3 |
IUPAC name | N-[2-oxo-2-[[(3R)-1-[2-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]ethyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide |
Molecular weight | 598.59 |
Hydrogen bond acceptor | 10 |
Hydrogen bond donor | 2 |
XlogP | 4.8 |
Synonyms | BDBM50315033 SCHEMBL13271689 (R)-N-(2-oxo-2-(1-(2-(1-(4-(trifluoromethyl)benzoyl)piperidin-4-yl)ethyl)pyrrolidin-3-ylamino)ethyl)-3-(trifluoromethyl)benzamide |
Inchi Key | ADJIIADSNIOSDG-XMMPIXPASA-N |
Inchi ID | InChI=1S/C29H32F6N4O3/c30-28(31,32)22-6-4-20(5-7-22)27(42)39-14-9-19(10-15-39)8-12-38-13-11-24(18-38)37-25(40)17-36-26(41)21-2-1-3-23(16-21)29(33,34)35/h1-7,16,19,24H,8-15,17-18H2,(H,36,41)(H,37,40)/t24-/m1/s1 |
PubChem CID | 46842235 |
ChEMBL | CHEMBL1089629 |
IUPHAR | N/A |
BindingDB | 50315033 |
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 |
---|---|---|---|---|---|
2363 | C-C chemokine receptor type 2 | P41597 | CCR2 | Homo sapiens (Human) | 374 |
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