Compound Detail
CHEMBL3397740
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Basic Information
| ChEMBL ID | CHEMBL3397740 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHOXLPMCTFWRQJ-RPZUVYPISA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
513.8
MW (Da)
9.05
ALogP
2
HBA
0
HBD
37.4
PSA (Ų)
0.17
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HeLa CHEMBL399 | IC50 | 4.5 | 4.5 | 32000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HeLa | IC50 | = | 32000.0 | nM | 4.5 | Cytostatic activity against human HeLa cells | 25577711 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25577711 | 10.1016/j.bmc.2014.12.042 | CCRF-CEM | 1 |
| 25577711 | 10.1016/j.bmc.2014.12.042 | HeLa | 1 |
| 25577711 | 10.1016/j.bmc.2014.12.042 | L1210 | 1 |
| 25577711 | 10.1016/j.bmc.2014.12.042 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine