Compound Detail
CHEMBL5740052
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
Cc1nc(Nc2cccc(N3CCCC3=O)c2)sc1-c1cc2c(c(S(C)(=O)=O)c1)C(=O)N([C@@H](C)C1CC1)C2
Basic Information
| ChEMBL ID | CHEMBL5740052 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BNXOEOMQSLPCKM-KRWDZBQOSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
550.7
MW (Da)
5.15
ALogP
7
HBA
1
HBD
99.7
PSA (Ų)
0.44
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform CHEMBL3130 | IC50 | 9.15 | 9.15 | 0.7 | 1 |
| Unchecked CHEMBL612545 | IC50 | 9.05 | 9.05 | 0.9 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform CHEMBL3145 | IC50 | 5.87 | 5.87 | 1362.0 | 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 | = | 0.7 | nM | 9.15 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Unchecked | IC50 | = | 0.9 | nM | 9.05 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 55.0 | nM | 7.26 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform | IC50 | = | 1362.0 | nM | 5.87 | Enzymatic Activity Assay : The activity of recombinant human PI3Kγ ((aa144-1102)... | - |
Data from ChEMBL 36 via Core Engine