Compound Detail
CHEMBL3937119
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CC#Cc1cccc2cc([C@H](C)NC(=O)c3c(N)nn4cccnc34)n(-c3ccccc3)c(=O)c12
Basic Information
| ChEMBL ID | CHEMBL3937119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BSQUPGCZIOWFQT-KRWDZBQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
462.5
MW (Da)
3.48
ALogP
7
HBA
2
HBD
107.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform CHEMBL3267 | IC50 | 7.6 | 7.6 | 25.0 | 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 | = | 25.0 | nM | 7.6 | Inhibition of human recombinant full length N-terminal His-tagged PI3Kgamma expr... | 27660692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27660692 | 10.1021/acsmedchemlett.6b00238 | Unchecked | 1 |
| 27660692 | 10.1021/acsmedchemlett.6b00238 | PI3-kinase p110-delta/p85-alpha | 1 |
| 27660692 | 10.1021/acsmedchemlett.6b00238 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform | 1 |
Data from ChEMBL 36 via Core Engine