Compound Detail
CHEMBL538221
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Basic Information
| ChEMBL ID | CHEMBL538221 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GZNDXCMTVNUUOK-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1189163 |
| Active Moiety | CHEMBL1189163 |
1
Targets
6
Activities
1
Assay Types
2
PK Parameters
2
Publications
0
Known Names
Molecular Properties
233.1
MW (Da)
2.55
ALogP
2
HBA
1
HBD
29.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 6.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.8 | 6.2683 | 160.0 | 6 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.25 | hr | - |
| T1/2 | 1.6 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 160.0 | nM | 6.8 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 160.0 | nM | 6.8 | Evaluated for growth inhibition of UV-4 cells under aerobic conditions | 2296009 |
| ADMET | IC50 | = | 380.0 | nM | 6.42 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 900.0 | nM | 6.05 | Evaluated for growth inhibition of AA8 cells under aerobic or hypoxic conditions | 2296009 |
| ADMET | IC50 | = | 1000.0 | nM | 6.0 | Evaluated for growth inhibition of UV-4 cells under aerobic or hypoxic condition... | 2296009 |
| ADMET | IC50 | = | 2900.0 | nM | 5.54 | Evaluated for growth inhibition of AA8 cells under aerobic conditions | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 11 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 5 |
Data from ChEMBL 36 via Core Engine