Compound Detail
CHEMBL190927
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Basic Information
| ChEMBL ID | CHEMBL190927 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FXLOVSHXALFLKQ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
120.2
MW (Da)
1.81
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.52
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 2A5 CHEMBL4085 | IC50 | 5.33 | 5.33 | 4680.0 | 1 |
| Cytochrome P450 2A6 CHEMBL5282 | IC50 | 5.31 | 5.31 | 4880.0 | 1 |
| B16-F10 CHEMBL612656 | IC50 | 4.15 | 4.15 | 70740.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 2A5 | IC50 | = | 4680.0 | nM | 5.33 | Inhibitory concentration against mouse cytochrome P450 2A5 | 15658857 |
| Cytochrome P450 2A6 | IC50 | = | 4880.0 | nM | 5.31 | Inhibitory concentration against human cytochrome P450 2A6 | 15658857 |
| B16-F10 | IC50 | = | 70740.0 | nM | 4.15 | Cytotoxicity against mouse B16F10 cells assessed as reduction in cell viability | 30594028 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15658857 | 10.1021/jm049536b | Cytochrome P450 2A6 | 1 |
| 15658857 | 10.1021/jm049536b | Cytochrome P450 2A5 | 1 |
| 17512740 | 10.1016/j.bmc.2007.05.013 | Mus musculus | 1 |
| 31097402 | 10.1016/j.bmc.2019.05.001 | Sodium- and chloride-dependent GABA transporter 1 | 1 |
| 30594028 | 10.1016/j.ejmech.2018.11.026 | B16-F10 | 1 |
Data from ChEMBL 36 via Core Engine