Compound Detail
CHEMBL144980
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Basic Information
| ChEMBL ID | CHEMBL144980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCGDACLXAVFTKN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
342.8
MW (Da)
2.92
ALogP
4
HBA
2
HBD
71.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.54
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| L1210 | IC50 | = | 2.9 | nM | 8.54 | In vitro inhibition of Murine leukemia (L1210) cell growth. | 3560160 |
| HCT-8 | IC50 | = | 33.0 | nM | 7.48 | In vitro inhibitory activity was determined against Human colon tumor (HCT-8) ce... | 3560160 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 3560160 | 10.1021/jm00387a013 | Mus musculus | 4 |
| 3560160 | 10.1021/jm00387a013 | No relevant target | 2 |
| 3560160 | 10.1021/jm00387a013 | Calf thymus DNA | 2 |
| 3959026 | 10.1021/jm00154a008 | Calf thymus DNA | 2 |
| 3560160 | 10.1021/jm00387a013 | L1210 | 1 |
| 3560160 | 10.1021/jm00387a013 | HCT-8 | 1 |
| 3560160 | 10.1021/jm00387a013 | Unchecked | 1 |
| 3959026 | 10.1021/jm00154a008 | L1210 | 1 |
| 3959026 | 10.1021/jm00154a008 | HCT-8 | 1 |
| 3959026 | 10.1021/jm00154a008 | Mus musculus | 1 |
| 3959026 | 10.1021/jm00154a008 | P388 | 1 |
| 3959026 | 10.1021/jm00154a008 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine