Compound Detail
CHEMBL3325588
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Basic Information
| ChEMBL ID | CHEMBL3325588 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HOFBQZUCMJCWAR-OVCLIPMQSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
285.3
MW (Da)
3.15
ALogP
6
HBA
3
HBD
77.7
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.23 | 5.59 | 590.0 | 2 |
| MDA-MB-435 CHEMBL614697 | IC50 | 5.2 | 5.2 | 6270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 590.0 | nM | 6.23 | Cytotoxicity against human HL60 cells after 72 hrs by MTT assay | 25147145 |
| MDA-MB-435 | IC50 | = | 6270.0 | nM | 5.2 | Cytotoxicity against human MDA-MB-435 cells after 72 hrs by MTT assay | 25147145 |
| NON-PROTEIN TARGET | IC50 | = | 11180.0 | nM | 4.95 | Cytotoxicity against human HCT8 cells after 72 hrs by MTT assay | 25147145 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25147145 | 10.1016/j.ejmech.2014.08.039 | NON-PROTEIN TARGET | 2 |
| 25147145 | 10.1016/j.ejmech.2014.08.039 | MDA-MB-435 | 1 |
| 25147145 | 10.1016/j.ejmech.2014.08.039 | ADMET | 1 |
| 25147145 | 10.1016/j.ejmech.2014.08.039 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine