Compound Detail
CHEMBL81845
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Basic Information
| ChEMBL ID | CHEMBL81845 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNDHXTCZIQBJFB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
3.27
ALogP
7
HBA
1
HBD
83.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2094134 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibition of purified bovine brain tubulin polymerisation in the absen... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)81034-9 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine