Compound Detail
CHEMBL543027
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Basic Information
| ChEMBL ID | CHEMBL543027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SNFZPEZEZZWYMP-UHFFFAOYSA-N |
| Parent Compound | CHEMBL275497 |
| Active Moiety | CHEMBL275497 |
1
Targets
2
Activities
1
Assay Types
2
PK Parameters
3
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 2 meas. best 7.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 7.15 | 7.115 | 71.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.121 | hr | - |
| T1/2 | 0.134 | hr | - |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 71.0 | nM | 7.15 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
| ADMET | IC50 | = | 83.0 | nM | 7.08 | Evaluated for inhibitory concentration against UV-4 cells under aerobic conditio... | 2296009 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2296009 | 10.1021/jm00163a019 | ADMET | 6 |
| 2296009 | 10.1021/jm00163a019 | Unchecked | 2 |
| 214558 | 10.1021/jm00210a003 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine