Compound Detail
CHEMBL3289110
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Basic Information
| ChEMBL ID | CHEMBL3289110 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XMXQFRPDUIBGED-UHFFFAOYSA-N |
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
238.2
MW (Da)
2.30
ALogP
3
HBA
2
HBD
66.0
PSA (Ų)
0.68
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas.
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 1A1 | 3 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 1B1 | 3 |
| 24844756 | 10.1016/j.bmc.2014.04.039 | Beta-glucuronidase | 1 |
| 24844756 | 10.1016/j.bmc.2014.04.039 | PC-3 | 1 |
| 26552899 | 10.1016/j.bmc.2015.10.038 | Unchecked | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 1A2 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 2D6 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 3A4 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 2C9 | 1 |
| 28259840 | 10.1016/j.ejmech.2017.02.032 | Cytochrome P450 2C19 | 1 |
| 28579123 | 10.1016/j.bmcl.2017.05.064 | Escherichia coli | 1 |
| 28579123 | 10.1016/j.bmcl.2017.05.064 | Unchecked | 1 |
| 28579123 | 10.1016/j.bmcl.2017.05.064 | Staphylococcus aureus | 1 |
| 30665142 | 10.1016/j.ejmech.2019.01.011 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
Data from ChEMBL 36 via Core Engine