Compound Detail
CHEMBL542922
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Basic Information
| ChEMBL ID | CHEMBL542922 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SCJGXQSJGQUCFA-YSMBQZINSA-N |
| Parent Compound | CHEMBL330407 |
| Active Moiety | CHEMBL330407 |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
315.4
MW (Da)
3.47
ALogP
5
HBA
1
HBD
62.9
PSA (Ų)
0.65
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Colon 26 CHEMBL614466 | IC50 | 8.55 | 8.55 | 2.8 | 2 |
| Tubulin CHEMBL2094134 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Bos taurus CHEMBL613489 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Colon 26 | IC50 | = | 2.8 | nM | 8.55 | In vitro cytotoxicity against colon 26 adenocarcinoma cell line was evaluated. | 9873694 |
| Colon 26 | IC50 | = | 2.8 | nM | 8.55 | Cytotoxic activity was determined against Colon 26 adenocarcinoma cells | 9873736 |
| Tubulin | IC50 | = | 1000.0 | nM | 6.0 | Tubulin polymerization inhibitory activity using bovine brain tubulin | 9873694 |
| Bos taurus | IC50 | = | 1000.0 | nM | 6.0 | Inhibitory activity was determined against tubulin polymerization of bovine brai... | 9873736 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873694 | 10.1016/s0960-894x(98)00579-4 | Colon 26 | 2 |
| 9873694 | 10.1016/s0960-894x(98)00579-4 | Tubulin | 1 |
| 9685242 | 10.1021/jm980101w | Colon 26 | 1 |
| 9685242 | 10.1021/jm980101w | NON-PROTEIN TARGET | 1 |
| 9685242 | 10.1021/jm980101w | MC-38 | 1 |
| 9685242 | 10.1021/jm980101w | Lewis lung carcinoma cell line | 1 |
| 9685242 | 10.1021/jm980101w | HCT-15 | 1 |
| 9873736 | 10.1016/s0960-894x(98)00622-2 | Bos taurus | 1 |
| 9873736 | 10.1016/s0960-894x(98)00622-2 | Colon 26 | 1 |
| 24160376 | 10.1021/jm400840p | Tubulin | 1 |
| 27187864 | 10.1016/j.ejmech.2016.05.012 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine