Compound Detail
CHEMBL5967284
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
CS(=O)(=O)CCCn1c([C@@H](Nc2nc(N)nc(N)c2C#N)C2CC2)nc2c(Cl)ccc(Cl)c2c1=O
Basic Information
| ChEMBL ID | CHEMBL5967284 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DHBOKNWOMUOAJH-HNNXBMFYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.4
MW (Da)
2.53
ALogP
11
HBA
3
HBD
182.7
PSA (Ų)
0.39
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Phosphatidylinositol 3-kinase regulatory subunit beta CHEMBL4437 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 5.96 | 5.96 | 1100.0 | 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 delta isoform | IC50 | = | 2.0 | nM | 8.7 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
| Phosphatidylinositol 3-kinase regulatory subunit beta | IC50 | = | 8.0 | nM | 8.1 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | IC50 | = | 1100.0 | nM | 5.96 | a time-resolved fluorescence resonance energy transfer (TR-FRET) assay: Class I ... | - |
Data from ChEMBL 36 via Core Engine