Compound Detail
CHEMBL4861778
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COc1ncc(N2CCOCC2)cc1S(=O)(=O)Nc1ccnc(-c2ccc(CN3CCN(C(C)C)CC3)c(F)c2F)c1.O=CO
Basic Information
| ChEMBL ID | CHEMBL4861778 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTVNYDXDNLZHNF-UHFFFAOYSA-N |
| Parent Compound | CHEMBL4170075 |
| Active Moiety | CHEMBL4170075 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
602.7
MW (Da)
3.59
ALogP
9
HBA
1
HBD
100.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.7 | 5.7 | 1995.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 1995.26 | nM | 5.7 | Inhibition of recombinant human N-terminal His6-tagged full length P120gamma exp... | 34510892 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34510892 | 10.1021/acs.jmedchem.1c01102 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine