Compound Detail
CHEMBL3318099
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Basic Information
| ChEMBL ID | CHEMBL3318099 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BPXDQMUQKGJROT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.32
ALogP
6
HBA
1
HBD
75.7
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2095182 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 6800.0 | nM | 5.17 | Inhibition of tubulin (unknown origin) polymerization incubated 15 mins prior to... | 25025991 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25025991 | 10.1021/jm500561a | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine