| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274229
Max Phase: Preclinical
Molecular Formula: C17H14Cl2FN3OS
Molecular Weight: 398.29
Associated Items:
Representations
Canonical SMILES: CC1CN(C(=O)Nc2ccc(Cl)c(Cl)c2)/C(=N/c2cccc(F)c2)S1
Standard InChI: InChI=1S/C17H14Cl2FN3OS/c1-10-9-23(16(24)21-13-5-6-14(18)15(19)8-13)17(25-10)22-12-4-2-3-11(20)7-12/h2-8,10H,9H2,1H3,(H,21,24)/b22-17-
Standard InChI Key: BBFADOMAPZXJDB-XLNRJJMWSA-N
Associated Targets(Human)
mTORC2 162 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 398.29 | Molecular Weight (Monoisotopic): 397.0219 | AlogP: 5.79 | #Rotatable Bonds: 2 |
| Polar Surface Area: 44.70 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.55 | CX Basic pKa: 3.17 | CX LogP: 5.84 | CX LogD: 5.84 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.70 | Np Likeness Score: -2.10 |
References
| 1. Chen Y, Zhou X.. (2020) Research progress of mTOR inhibitors., 208 [PMID:32966896] [10.1016/j.ejmech.2020.112820] |
Source
Source(1):