Compound Detail
CHEMBL19336
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Basic Information
| ChEMBL ID | CHEMBL19336 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROSJKFFLIXTTAW-UHFFFAOYSA-N |
1
Targets
5
Activities
1
Assay Types
2
PK Parameters
13
Publications
0
Known Names
Molecular Properties
218.1
MW (Da)
2.97
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 6.48 | 5.964 | 330.0 | 5 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 1.3 | hr | - |
| T1/2 | 2.5 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 330.0 | nM | 6.48 | Evaluated for cytotoxicity under aerobic conditions against UV4 cells using micr... | 2296009 |
| ADMET | IC50 | = | 330.0 | nM | 6.48 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 1110.0 | nM | 5.96 | IC50 value determined against UV-4 cells with an 18 hr exposure under either aer... | 2296009 |
| ADMET | IC50 | = | 1200.0 | nM | 5.92 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 10500.0 | nM | 4.98 | Evaluated for cytotoxicity under aerobic conditions against AA8 cells using micr... | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 9 |
| 7277394 | 10.1021/jm00139a018 | Mus musculus | 4 |
| 513075 | 10.1021/jm00196a023 | B16 | 2 |
| 619146 | 10.1021/jm00199a004 | P388 | 2 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 1 |
| 619146 | 10.1021/jm00199a004 | W256 | 1 |
| 619146 | 10.1021/jm00199a004 | Rattus norvegicus | 1 |
| 619146 | 10.1021/jm00199a004 | L1210 | 1 |
| 619146 | 10.1021/jm00199a004 | No relevant target | 1 |
| 24936953 | 10.1021/jm500101h | Androgen receptor | 1 |
| 24936953 | 10.1021/jm500101h | Progesterone receptor | 1 |
| 24936953 | 10.1021/jm500101h | LNCaP | 1 |
| 30247905 | 10.1021/acs.jmedchem.8b00559 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine