Compound Detail
CHEMBL14542
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Basic Information
| ChEMBL ID | CHEMBL14542 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBSBPOLEPQRKSF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
255.2
MW (Da)
2.93
ALogP
5
HBA
1
HBD
64.7
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 6800.0 | nM | 5.17 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 22030314 |
| Tubulin beta chain | IC50 | = | 23000.0 | nM | 4.64 | Inhibition of tubulin polymerization | 8164254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164254 | 10.1021/jm00034a010 | Tubulin beta chain | 1 |
| 8164254 | 10.1021/jm00034a010 | NCI-H226 | 1 |
| 8164254 | 10.1021/jm00034a010 | DMS-114 | 1 |
| 8164254 | 10.1021/jm00034a010 | HCT-116 | 1 |
| 8164254 | 10.1021/jm00034a010 | KM-20L2 | 1 |
| 8164254 | 10.1021/jm00034a010 | OVCAR-3 | 1 |
| 8164254 | 10.1021/jm00034a010 | RXF 393 | 1 |
| 8164254 | 10.1021/jm00034a010 | SK-MEL-5 | 1 |
| 8164254 | 10.1021/jm00034a010 | SF-268 | 1 |
| 8164254 | 10.1021/jm00034a010 | SF-295 | 1 |
| 22030314 | 10.1016/j.ejmech.2011.10.017 | NCI-H460 | 1 |
| 22030314 | 10.1016/j.ejmech.2011.10.017 | Detroit 551 | 1 |
| 22030314 | 10.1016/j.ejmech.2011.10.017 | HL-60 | 1 |
| 22030314 | 10.1016/j.ejmech.2011.10.017 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine