Compound Detail
CHEMBL45622
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Basic Information
| ChEMBL ID | CHEMBL45622 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MNMZMPZMZXEETI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
308.3
MW (Da)
3.22
ALogP
4
HBA
0
HBD
44.8
PSA (Ų)
0.80
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 39000.0 | nM | 4.41 | Concentration to inhibit 50% of tubulin polymerization from bovine brain | 9572894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9572894 | 10.1021/jm970644q | Unchecked | 2 |
| 9572894 | 10.1021/jm970644q | Panel NCI-60 (60 carcinoma cell lines) | 1 |
Data from ChEMBL 36 via Core Engine