Compound Detail
CHEMBL4590323
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Basic Information
| ChEMBL ID | CHEMBL4590323 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSAHUCYEXUNKNT-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
307.7
MW (Da)
2.73
ALogP
5
HBA
1
HBD
81.7
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PAM212 CHEMBL614231 | IC50 | 5.4 | 4.7 | 4000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PAM212 | IC50 | = | 4000.0 | nM | 5.4 | Dark toxicity against mouse PAM212 cells assessed as cell growth inhibition incu... | 30638875 |
| PAM212 | IC50 | = | 40000.0 | nM | 4.4 | Phototoxicity against mouse PAM212 cells assessed as cell growth inhibition prei... | 30638875 |
| PAM212 | IC50 | = | 50000.0 | nM | 4.3 | Dark toxicity against mouse PAM212 cells assessed as cell growth inhibition incu... | 30638875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30638875 | 10.1016/j.bmcl.2018.12.048 | PAM212 | 3 |
Data from ChEMBL 36 via Core Engine