Compound Detail
CHEMBL14540
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Basic Information
| ChEMBL ID | CHEMBL14540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NMFTWAYYGHNSDJ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
271.3
MW (Da)
3.40
ALogP
5
HBA
1
HBD
51.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| NCI-H460 CHEMBL396 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Tubulin beta chain CHEMBL3394 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
| Tubulin alpha chain CHEMBL3658 | IC50 | 5.66 | 5.66 | 2187.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 700.0 | nM | 6.16 | Cytotoxicity against human Hep3B cells after 48 hrs by MTT assay | 22030314 |
| NCI-H460 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human H460 cells after 48 hrs by MTT assay | 22030314 |
| HL-60 | IC50 | = | 1000.0 | nM | 6.0 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 22030314 |
| Tubulin alpha chain | IC50 | = | 2187.76 | nM | 5.66 | Inhibition of tubulin polymerization interacting at the colchicine binding site. | 10649972 |
| Tubulin beta chain | IC50 | = | 2200.0 | nM | 5.66 | Inhibition of tubulin polymerization | 8164254 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10649972 | 10.1021/jm990333a | Tubulin alpha chain | 1 |
| 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