Compound Detail
CHEMBL3645820
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CCc1ncnc(-c2ccc(C(=O)N3CCN4CCCC[C@@H]4C3)c(F)c2)c1C#Cc1ccc(N)nc1
Basic Information
| ChEMBL ID | CHEMBL3645820 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZXQLGEUAOSGDJY-OAQYLSRUSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
3.53
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 9.14 | 9.14 | 0.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 7.34 | 7.34 | 45.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 0.73 | nM | 9.14 | mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologic... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 45.78 | nM | 7.34 | Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indi... | - |
Data from ChEMBL 36 via Core Engine