Compound Detail
CHEMBL19868
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Basic Information
| ChEMBL ID | CHEMBL19868 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVHPTUBKIPTOOT-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
247.1
MW (Da)
3.37
ALogP
3
HBA
0
HBD
32.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 7.4 | 6.518 | 40.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 13.7 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 40.0 | nM | 7.4 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 80.0 | nM | 7.1 | Evaluated for growth inhibition of UV-4 cells under aerobic conditions | 2296009 |
| ADMET | IC50 | = | 610.0 | nM | 6.21 | Evaluated for growth inhibition of AA8 cells under aerobic or hypoxic conditions | 2296009 |
| ADMET | IC50 | = | 660.0 | nM | 6.18 | Evaluated for growth inhibition of UV-4 cells under aerobic or hypoxic condition... | 2296009 |
| ADMET | IC50 | = | 2000.0 | nM | 5.7 | Evaluated for growth inhibition of AA8 cells under aerobic conditions | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 10 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine