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Name | CHEMBL3902670 |
---|---|
Molecular formula | C32H43N5O4 |
IUPAC name | 3-amino-N-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide |
Molecular weight | 561.727 |
Hydrogen bond acceptor | 6 |
Hydrogen bond donor | 3 |
XlogP | 6.1 |
Synonyms | BDBM50203292 SCHEMBL15120110 |
Inchi Key | KFVCQVXIFKORCI-QLADTWODSA-N |
Inchi ID | InChI=1S/C32H43N5O4/c1-3-21(2)28(31(40)37-17-15-32(16-18-37)14-13-23-11-7-8-12-24(23)32)35-29(38)25(19-22-9-5-4-6-10-22)34-30(39)26-20-27(33)36-41-26/h7-8,11-14,20-22,25,28H,3-6,9-10,15-19H2,1-2H3,(H2,33,36)(H,34,39)(H,35,38)/t21-,25-,28-/m0/s1 |
PubChem CID | 56640547 |
ChEMBL | CHEMBL3902670 |
IUPHAR | N/A |
BindingDB | 50203292 |
DrugBank | N/A |
Structure | |
Lipinski's druglikeness | 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 |
---|---|---|---|---|---|
540296 | Proteinase-activated receptor 2 | P55085 | F2RL1 | Homo sapiens (Human) | 397 |
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