Compound Detail
CHEMBL1765601
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O=c1ccc2cnc3ccc(-c4cnc5ccccc5c4)cc3c2n1-c1ccc(F)c(C(F)(F)F)c1
Basic Information
| ChEMBL ID | CHEMBL1765601 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | REYNCADZGULYFT-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
485.4
MW (Da)
6.91
ALogP
4
HBA
0
HBD
47.8
PSA (Ų)
0.20
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.6
IC50 1 meas. best 7.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR CHEMBL1255165 | EC50 | 7.6 | 7.6 | 25.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.43 | 7.43 | 37.1 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.195 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase mTOR | EC50 | = | 25.0 | nM | 7.6 | Inhibition of mTOR in p53-deficient MEF assessed as phosphorylation of S6K1 at T... | 21322566 |
| Unchecked | IC50 | = | 37.1 | nM | 7.43 | Inhibition of human mTOR complex 1 after 30 mins by FRET assay | 21322566 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21322566 | 10.1021/jm101520v | Mus musculus | 2 |
| 21322566 | 10.1021/jm101520v | Unchecked | 2 |
| 21322566 | 10.1021/jm101520v | Liver | 1 |
| 21322566 | 10.1021/jm101520v | Serine/threonine-protein kinase mTOR | 1 |
| 21322566 | 10.1021/jm101520v | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 1 |
Data from ChEMBL 36 via Core Engine