Compound Detail
CHEMBL108767
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Basic Information
| ChEMBL ID | CHEMBL108767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CJUOVDQUHOAHEH-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
317.3
MW (Da)
3.41
ALogP
4
HBA
2
HBD
70.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 1800.0 | nM | 5.75 | 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