Compound Detail
CHEMBL3683611
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COc1ccc2c(c1)S(=O)(=O)Cc1c(C(=O)N3CCOCC3)nn([C@H]3CCCN(CCN4CC(F)(F)C4)C3)c1-2
Basic Information
| ChEMBL ID | CHEMBL3683611 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QXVMJULCQQDHKX-SFHVURJKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
565.6
MW (Da)
1.91
ALogP
9
HBA
0
HBD
97.2
PSA (Ų)
0.52
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase class I CHEMBL3559703 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase class I | IC50 | = | 15.0 | nM | 7.82 | Binding Assay: The efficacy of compounds of the invention in inhibiting the PI3K... | - |
Data from ChEMBL 36 via Core Engine