None
AlkaPlorer ID: AK323886
Synonym: None
IUPAC Name: 4-[[(1R,2R)-2-[(3R)-3-aminopiperidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-3-chlorobenzonitrile
Structure
SMILES: N#CC1=CC=C(O[C@@H]2C3=CC=CC=C3C[C@H]2N2CCC[C@@H](N)C2)C(Cl)=C1
InChI: InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
InChIKey: RLKRLNQEXBPQGQ-OZOXKJRCSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 367.8800000000001
TPSA？: 62.28
MolLogP？: 3.6795800000000014
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Short transient receptor potential channel 3 | IC50 | 282.0 | nM | 10.1021/acs.jmedchem.8b01954 |
| Homo sapiens | Short transient receptor potential channel 6 | IC50 | 7.9 | nM | 10.1021/acs.jmedchem.8b01954 |
| Homo sapiens | Short transient receptor potential channel 6 | IC50 | 9.5 | nM | 10.1016/j.bmcl.2018.03.056 |
| Homo sapiens | Short transient receptor potential channel 6 | IC50 | 9.5 | nM | 10.1021/acs.jmedchem.8b01954 |
| Homo sapiens | Short transient receptor potential channel 7 | IC50 | 226.0 | nM | 10.1021/acs.jmedchem.8b01954 |
| Mus musculus | Short transient receptor potential channel 4 | IC50 | 10000.0 | nM | 10.1021/acs.jmedchem.8b01954 |
| Mus musculus | Short transient receptor potential channel 5 | IC50 | 10000.0 | nM | 10.1021/acs.jmedchem.8b01954 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 2.63 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 3.14 | % | 10.6019/CHEMBL4495565 |