Compound Detail
CHEMBL3645910
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCc1ncnc(-c2cc(F)c(C(=O)N3CCN4CCC[C@H]4C3)c(Cl)c2)c1C#Cc1ccc(N)nc1
Basic Information
| ChEMBL ID | CHEMBL3645910 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSMZXIBKLUZNAF-IBGZPJMESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
3.80
ALogP
6
HBA
1
HBD
88.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL2842 | IC50 | 10.15 | 10.15 | 0.1 | 1 |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform CHEMBL4005 | IC50 | 6.76 | 6.76 | 174.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | IC50 | = | 0.07 | nM | 10.15 | mTOR Kinase Activity Assay: The mTOR kinase TR-FRET assay utilizes a physiologic... | - |
| Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | IC50 | = | 174.6 | nM | 6.76 | Filter-Binding-Assay: PI3Kalpha assay described herein provides IC50 values indi... | - |
Data from ChEMBL 36 via Core Engine