Compound Detail
CHEMBL111358
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Basic Information
| ChEMBL ID | CHEMBL111358 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QIWCMERBQKFKTD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.11
ALogP
4
HBA
3
HBD
77.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 3800.0 | nM | 5.42 | In vitro for antiproliferate activity against HaCaT cells | 9873705 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873705 | 10.1016/s0960-894x(98)00580-0 | ADMET | 2 |
| 9873705 | 10.1016/s0960-894x(98)00580-0 | No relevant target | 1 |
| 9873705 | 10.1016/s0960-894x(98)00580-0 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine