Compound Detail
CHEMBL4470333
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Basic Information
| ChEMBL ID | CHEMBL4470333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGMJTNBUDVDZRO-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
298.3
MW (Da)
3.09
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KOPTK1 CHEMBL4483252 | IC50 | 5.61 | 5.61 | 2460.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KOPTK1 | IC50 | = | 2460.0 | nM | 5.61 | Antiproliferative activity against human KOPTK1 cells harboring activating Notch... | 30996810 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996810 | 10.1021/acsmedchemlett.8b00608 | KOPTK1 | 4 |
| 30996810 | 10.1021/acsmedchemlett.8b00608 | Neurogenic locus notch homolog protein 1 | 2 |
Data from ChEMBL 36 via Core Engine