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Name | CHEMBL3932079 |
---|---|
Molecular formula | C32H40F6N4O5 |
IUPAC name | N-[(2S)-1-[[(2S,3S)-1-[4-[2,4-bis(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 674.685 |
Hydrogen bond acceptor | 12 |
Hydrogen bond donor | 3 |
XlogP | 6.6 |
Synonyms | N/A |
Inchi Key | IRPMODOGHYKQTK-YLORPAJWSA-N |
Inchi ID | InChI=1S/C32H40F6N4O5/c1-3-19(2)26(41-27(43)24(17-20-7-5-4-6-8-20)40-28(44)25-11-14-39-47-25)29(45)42-15-12-30(46,13-16-42)22-10-9-21(31(33,34)35)18-23(22)32(36,37)38/h9-11,14,18-20,24,26,46H,3-8,12-13,15-17H2,1-2H3,(H,40,44)(H,41,43)/t19-,24-,26-/m0/s1 |
PubChem CID | 134138592 |
ChEMBL | CHEMBL3932079 |
IUPHAR | N/A |
BindingDB | N/A |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5. |
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GLASS ID | Name | UniProt | Gene | Species | Length |
---|---|---|---|---|---|
549664 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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