Compound Detail
CHEMBL117994
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Basic Information
| ChEMBL ID | CHEMBL117994 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLDZWGMJMCTYHJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
344.2
MW (Da)
4.10
ALogP
4
HBA
1
HBD
51.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 530.0 | nM | 6.28 | Inhibition of bovine tubulin polymerization | 7932568 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 7932568 | 10.1021/jm00046a025 | Tubulin | 2 |
| 7932568 | 10.1021/jm00046a025 | K562 | 1 |
| 7932568 | 10.1021/jm00046a025 | NCI-H226 | 1 |
| 7932568 | 10.1021/jm00046a025 | HCT-116 | 1 |
| 7932568 | 10.1021/jm00046a025 | KM-20L2 | 1 |
| 7932568 | 10.1021/jm00046a025 | SF-268 | 1 |
| 7932568 | 10.1021/jm00046a025 | SF-295 | 1 |
| 7932568 | 10.1021/jm00046a025 | SK-MEL-5 | 1 |
| 7932568 | 10.1021/jm00046a025 | OVCAR-3 | 1 |
| 7932568 | 10.1021/jm00046a025 | OVCAR-4 | 1 |
| 7932568 | 10.1021/jm00046a025 | RXF 393 | 1 |
| 7932568 | 10.1021/jm00046a025 | DU-145 | 1 |
| 7932568 | 10.1021/jm00046a025 | MDA-N | 1 |
Data from ChEMBL 36 via Core Engine