Compound Detail
CHEMBL98235
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Basic Information
| ChEMBL ID | CHEMBL98235 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LPQHSPCKVORGKS-UHFFFAOYSA-N |
| Parent Compound | CHEMBL86960 |
| Active Moiety | CHEMBL86960 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
303.4
MW (Da)
3.33
ALogP
5
HBA
1
HBD
49.0
PSA (Ų)
0.85
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tubulin CHEMBL2111464 | IC50 | 5.05 | 5.05 | 8900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tubulin | IC50 | = | 8900.0 | nM | 5.05 | In vitro inhibition of bovine electrophoretically homogeneous tubulin polymeriza... | 8410995 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8410995 | 10.1021/jm00071a012 | HL-60 | 1 |
| 8410995 | 10.1021/jm00071a012 | NCI-H522 | 1 |
| 8410995 | 10.1021/jm00071a012 | DMS-273 | 1 |
| 8410995 | 10.1021/jm00071a012 | COLO 205 | 1 |
| 8410995 | 10.1021/jm00071a012 | SF-295 | 1 |
| 8410995 | 10.1021/jm00071a012 | M14 | 1 |
| 8410995 | 10.1021/jm00071a012 | OVCAR-3 | 1 |
| 8410995 | 10.1021/jm00071a012 | CAKI-1 | 1 |
| 8410995 | 10.1021/jm00071a012 | Tubulin | 1 |
Data from ChEMBL 36 via Core Engine