Compound Detail
CHEMBL4869265
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CN(C)C(=O)c1ccc2c(c1)c(C[C@H]1COCCN1c1nc3c(s1)C(=O)NC(C)(C)C3)cn2C
Basic Information
| ChEMBL ID | CHEMBL4869265 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVSGBNZVDWHFDO-KRWDZBQOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
481.6
MW (Da)
2.85
ALogP
7
HBA
1
HBD
79.7
PSA (Ų)
0.62
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha CHEMBL1075102 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta CHEMBL5554 | IC50 | 8.02 | 8.02 | 9.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit alpha | IC50 | = | 9.57 | nM | 8.02 | Inhibition of human PIK3C2A using phosphatidylinositol as substrate and 10 uM AT... | - |
| Phosphatidylinositol 4-phosphate 3-kinase C2 domain-containing subunit beta | IC50 | = | 9.57 | nM | 8.02 | Inhibition of human PIK3C2B using phosphatidylinositol as substrate and 10 uM AT... | - |
Data from ChEMBL 36 via Core Engine