Compound Detail
CHEMBL3645971
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CCc1ncnc(-c2cc(F)c(C(=O)N3CCN(C(C)COC)CC3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Basic Information
| ChEMBL ID | CHEMBL3645971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNBNWTNJAHJTMI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
537.0
MW (Da)
3.67
ALogP
7
HBA
1
HBD
97.5
PSA (Ų)
0.48
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 9.17 | 9.17 | 0.7 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.96 | 6.96 | 110.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 0.68 | nM | 9.17 | mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologic... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 110.06 | nM | 6.96 | Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indi... | - |
Data from ChEMBL 36 via Core Engine