Compound Detail
CHEMBL4441870
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C[C@H]1CN(c2nc(N)nc3c2S(=O)(=O)CC3)[C@@H]1c1nn2ccc(Cl)c2c(=O)n1-c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL4441870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DPHFLPMHQWTKGY-LRDDRELGSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
498.0
MW (Da)
2.04
ALogP
10
HBA
1
HBD
128.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| PI3-kinase p110-delta/p85-alpha CHEMBL2111432 | IC50 | 8.4 | 8.4 | 4.0 | 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 | = | 3.0 | nM | 8.52 | Inhibition of recombinant N-terminal His-tagged full length human PI3Kgamma expr... | 30582813 |
| PI3-kinase p110-delta/p85-alpha | IC50 | = | 4.0 | nM | 8.4 | Inhibition of N-terminal His6-tagged recombinant full length human p110delta/unt... | 30582813 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Unchecked | 2 |
| 30582813 | 10.1021/acs.jmedchem.8b01298 | PI3-kinase p110-delta/p85-alpha | 1 |
| 30582813 | 10.1021/acs.jmedchem.8b01298 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine