Compound Detail
CHEMBL120152
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Basic Information
| ChEMBL ID | CHEMBL120152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YBIMTNSRPFCZCB-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
335.4
MW (Da)
4.82
ALogP
4
HBA
2
HBD
62.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.66 | 6.66 | 220.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 5.85 | 5.85 | 1400.0 | 1 |
| Tubulin CHEMBL2094134 | IC50 | 5.51 | 5.28 | 3100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 220.0 | nM | 6.66 | Inhibition of estrogen receptor positive MCF-7 human breast cancer cell prolifer... | 9357519 |
| MDA-MB-231 | IC50 | = | 1400.0 | nM | 5.85 | Inhibition of the growth of MDA-MB 231 human breast cancer cells | 9357519 |
| Tubulin | IC50 | = | 3100.0 | nM | 5.51 | Inhibition of tubulin polymerization using isolated calf brain | 9357519 |
| Tubulin | IC50 | = | 8900.0 | nM | 5.05 | Inhibition of Tubulin polymerization by a 40 uM solution of compound; compound s... | 9836614 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9357519 | 10.1021/jm970177c | Tubulin | 5 |
| 9836614 | 10.1021/jm980228l | Tubulin | 2 |
| 9836614 | 10.1021/jm980228l | MDA-MB-231 | 1 |
| 9836614 | 10.1021/jm980228l | MCF7 | 1 |
| 9357519 | 10.1021/jm970177c | MDA-MB-231 | 1 |
| 9357519 | 10.1021/jm970177c | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine