Compound Detail
CHEMBL44574
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Basic Information
| ChEMBL ID | CHEMBL44574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OZRJRYCTBFDQRE-UHFFFAOYSA-M |
| Parent Compound | CHEMBL1205030 |
| Active Moiety | CHEMBL1205030 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
398.3
MW (Da)
2.42
ALogP
7
HBA
2
HBD
120.8
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 21000.0 | nM | 4.68 | The compound was tested for the concentration to inhibit 50% of tubulin polymeri... | 9572894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572894 | 10.1021/jm970644q | Tubulin | 1 |
| 9572894 | 10.1021/jm970644q | Unchecked | 1 |
| 9572894 | 10.1021/jm970644q | Panel NCI-60 (60 carcinoma cell lines) | 1 |
| 9572894 | 10.1021/jm970644q | P388 | 1 |
| 9572894 | 10.1021/jm970644q | OVCAR | 1 |
| 9572894 | 10.1021/jm970644q | SF-295 | 1 |
| 9572894 | 10.1021/jm970644q | A498 | 1 |
| 9572894 | 10.1021/jm970644q | NCI-H460 | 1 |
| 9572894 | 10.1021/jm970644q | KM-20L2 | 1 |
| 9572894 | 10.1021/jm970644q | SK-MEL-5 | 1 |
Data from ChEMBL 36 via Core Engine