Compound Detail
CHEMBL174708
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Basic Information
| ChEMBL ID | CHEMBL174708 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZQIZBBOAPSVROM-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1181509 |
| Active Moiety | CHEMBL1181509 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
261.4
MW (Da)
3.86
ALogP
0
HBA
1
HBD
19.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| ADMET CHEMBL612558 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| ADMET | IC50 | = | 1500.0 | nM | 5.82 | In vitro cell survival assay on cancer KB cell lines | 11300877 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11300877 | 10.1021/jm0010419 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine