Compound Detail
CHEMBL14120
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Basic Information
| ChEMBL ID | CHEMBL14120 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKFBIYVXNYYXAI-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
251.3
MW (Da)
3.62
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.5
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Plasmodium falciparum CHEMBL364 | EC50 | 6.5 | 6.445 | 314.2 | 2 |
| Tubulin beta chain CHEMBL3394 | IC50 | 6.21 | 5.89 | 610.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Plasmodium falciparum | EC50 | = | 314.2 | nM | 6.5 | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation ... | 18579783 |
| Plasmodium falciparum | EC50 | = | 411.0 | nM | 6.39 | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferati... | 18579783 |
| Tubulin beta chain | IC50 | = | 610.0 | nM | 6.21 | Inhibition of tubulin polymerization | 8164254 |
| Tubulin beta chain | IC50 | = | 2700.0 | nM | 5.57 | Inhibition of tubulin polymerization | 8387598 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8387598 | 10.1021/jm00061a005 | COLO 205 | 2 |
| - | 10.6019/CHEMBL4513161 | Pseudomonas aeruginosa | 2 |
| 18579783 | 10.1073/pnas.0802982105 | Plasmodium falciparum | 2 |
| 8387598 | 10.1021/jm00061a005 | SF-539 | 2 |
| 8387598 | 10.1021/jm00061a005 | KM-20L2 | 2 |
| 8387598 | 10.1021/jm00061a005 | HT-29 | 2 |
| 8387598 | 10.1021/jm00061a005 | HCC 2998 | 2 |
| 8387598 | 10.1021/jm00061a005 | Tubulin | 2 |
| 8387598 | 10.1021/jm00061a005 | Tubulin beta chain | 1 |
| 8387598 | 10.1021/jm00061a005 | L1210 (1565) | 1 |
| 8164254 | 10.1021/jm00034a010 | Tubulin beta chain | 1 |
| 8387598 | 10.1021/jm00061a005 | P388 | 1 |
| 8387598 | 10.1021/jm00061a005 | KB | 1 |
| 8387598 | 10.1021/jm00061a005 | RPMI-7951 | 1 |
| 8387598 | 10.1021/jm00061a005 | HCT-8 | 1 |
| 8387598 | 10.1021/jm00061a005 | A549 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Huh-7 | 1 |
| 18579783 | 10.1073/pnas.0802982105 | Unchecked | 1 |
| - | 10.6019/CHEMBL4513161 | Candida albicans | 1 |
| - | 10.6019/CHEMBL4513161 | HEK293 | 1 |
Data from ChEMBL 36 via Core Engine