Compound Detail
CHEMBL5200762
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N#Cc1c(N)nc(N)nc1N1[C@H](c2nc3cccc(Cl)c3c(=O)n2-c2cccc(F)c2)C[C@@H]2CCCC[C@@H]21
Basic Information
| ChEMBL ID | CHEMBL5200762 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTYUVWMDABGNEH-WVFSVQOHSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
531.0
MW (Da)
4.51
ALogP
9
HBA
2
HBD
139.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SUD4 CHEMBL613711 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| SU-DHL-6 CHEMBL4296496 | IC50 | 5.79 | 5.79 | 1610.0 | 1 |
| DOHH-2 CHEMBL2366181 | IC50 | 5.55 | 5.55 | 2800.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 4.55 | 4.55 | 28000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| SUD4 | IC50 | = | 1300.0 | nM | 5.89 | Antiproliferative activity against human SU-DHL-4 cells assessed as cell growth ... | 35831917 |
| SU-DHL-6 | IC50 | = | 1610.0 | nM | 5.79 | Antiproliferative activity against human SU-DHL-6 cells assessed as cell growth ... | 35831917 |
| DOHH-2 | IC50 | = | 2800.0 | nM | 5.55 | Antiproliferative activity against human DOHH-2 cells assessed as cell growth in... | 35831917 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | IC50 | = | 28000.0 | nM | 4.55 | Inhibition of N-terminal His6-tagged recombinant full length human PI3Kdelta exp... | 35831917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35831917 | 10.1021/acs.jmedchem.2c00568 | DOHH-2 | 1 |
| 35831917 | 10.1021/acs.jmedchem.2c00568 | SU-DHL-6 | 1 |
| 35831917 | 10.1021/acs.jmedchem.2c00568 | SUD4 | 1 |
| 35831917 | 10.1021/acs.jmedchem.2c00568 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
| 35831917 | 10.1021/acs.jmedchem.2c00568 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 1 |
Data from ChEMBL 36 via Core Engine