Compound Detail
CHEMBL19995
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Basic Information
| ChEMBL ID | CHEMBL19995 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMNFMWKZDRHCFP-UHFFFAOYSA-N |
1
Targets
9
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
263.1
MW (Da)
2.88
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.0 | 5.07 | 1000.0 | 8 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 100.0 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 1000.0 | nM | 6.0 | Evaluated for growth inhibition of AA8 cells under aerobic or hypoxic conditions | 2296009 |
| ADMET | IC50 | = | 3200.0 | nM | 5.5 | IC50 value determined against UV-4 cells with an 18 hr exposure under either aer... | 2296009 |
| ADMET | IC50 | = | 3200.0 | nM | 5.5 | Evaluated for growth inhibition of UV-4 cells under aerobic or hypoxic condition... | 2296009 |
| ADMET | IC50 | = | 15800.0 | nM | 4.8 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 17000.0 | nM | 4.77 | Growth inhibition of aerobic chinese hamster ovary fibroblast UV4 cells using an... | 1507207 |
| ADMET | IC50 | = | 21500.0 | nM | 4.67 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 22000.0 | nM | 4.66 | Evaluated for cytotoxicity under aerobic conditions against UV4 cells using micr... | 2296009 |
| ADMET | IC50 | = | 22000.0 | nM | 4.66 | Evaluated for growth inhibition of UV-4 cells under aerobic conditions | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 13 |
| 1507207 | 10.1021/jm00095a018 | ADMET | 4 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 4 |
| 1507207 | 10.1021/jm00095a018 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine