Compound Detail
CHEMBL3683580
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O=C(c1nn([C@H]2CCCN(CCC3CCOCC3)C2)c2c1CS(=O)(=O)c1c(F)cccc1-2)N1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL3683580 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYGDHTMAQTVJIR-FQEVSTJZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.7
MW (Da)
2.90
ALogP
8
HBA
0
HBD
94.0
PSA (Ų)
0.57
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PI3-kinase class I CHEMBL3559703 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PI3-kinase class I | IC50 | = | 6.0 | nM | 8.22 | Binding Assay: The efficacy of compounds of the invention in inhibiting the PI3K... | - |
Data from ChEMBL 36 via Core Engine