Compound Detail
CHEMBL5087061
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Cc1nc2sc1-c1cc3c(c(c1)S(=O)(=O)Nc1ccc(cc1)CN(C)CCCNC(=O)c1cccc(n1)N2)C(=O)N([C@@H](C)C1CC1)C3
Basic Information
| ChEMBL ID | CHEMBL5087061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HWQOBXLEMHPNMF-NRFANRHFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
671.9
MW (Da)
5.38
ALogP
9
HBA
3
HBD
136.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.1 | 8.95 | 0.8 | 2 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL2189158 | IC50 | 8.4 | 8.4 | 4.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34080862 | 10.1021/acs.jmedchem.1c00434 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 2 |
| 34080862 | 10.1021/acs.jmedchem.1c00434 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | 2 |
Data from ChEMBL 36 via Core Engine