Compound Detail
CHEMBL6047988
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COC(=O)Nc1cc(C(F)(F)F)c(-c2nc(N3CCOC[C@@H]3C)c3cc(CN4CCN(S(C)(=O)=O)CC4)cn3n2)cn1
Basic Information
| ChEMBL ID | CHEMBL6047988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBULAPXCKGKHCL-INIZCTEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
612.6
MW (Da)
2.29
ALogP
11
HBA
1
HBD
134.5
PSA (Ų)
0.44
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit alpha CHEMBL2506 | IC50 | 8.25 | 8.25 | 5.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase regulatory subunit alpha | IC50 | = | 5.67 | nM | 8.25 | Inhibition on PI3K Kinase Activity: The activity of purified kinase was detected... | - |
Data from ChEMBL 36 via Core Engine