Compound Detail
CHEMBL4285353
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Basic Information
| ChEMBL ID | CHEMBL4285353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNIUOHYRNWXVOD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
294.3
MW (Da)
3.95
ALogP
2
HBA
1
HBD
24.9
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| LS174T CHEMBL614097 | IC50 | 8.38 | 8.38 | 4.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| LS174T | IC50 | = | 4.2 | nM | 8.38 | Antiproliferative activity against human LS174T cells assessed as inhibition of ... | 29527286 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29527286 | 10.1039/C7MD00393E | LS174T | 5 |
| 29527286 | 10.1039/C7MD00393E | HEL 299 | 2 |
| 29527286 | 10.1039/C7MD00393E | BEAS-2B | 2 |
| 29527286 | 10.1039/C7MD00393E | G1/S-specific cyclin-D1 | 2 |
| 29527286 | 10.1039/C7MD00393E | HT-29 | 1 |
| 29527286 | 10.1039/C7MD00393E | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine