Compound Detail
CHEMBL5276062
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Basic Information
| ChEMBL ID | CHEMBL5276062 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NRCOTKSVARGOIM-MRXNPFEDSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
393.9
MW (Da)
4.71
ALogP
5
HBA
0
HBD
57.0
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bromodomain-containing protein 4 CHEMBL1163125 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| LAPC4 CHEMBL613292 | IC50 | 7.1 | 7.1 | 80.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bromodomain-containing protein 4 | IC50 | = | 30.0 | nM | 7.52 | Time-Resolved Fluorescence Resonance energy Transfer (TR-FRET) Assay: For this p... | - |
| LAPC4 | IC50 | = | 80.0 | nM | 7.1 | Antiproliferative activity against human LAPC4 cells assessed as inhibition of p... | 33901899 |
| MOLM-13 | IC50 | = | 120.0 | nM | 6.92 | Antiproliferative activity against human MOLM-13 cells assessed as inhibition of... | 33901899 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33901899 | 10.1016/j.ejmech.2021.113445 | MOLM-13 | 1 |
| 33901899 | 10.1016/j.ejmech.2021.113445 | LAPC4 | 1 |
Data from ChEMBL 36 via Core Engine