| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3974336
Max Phase: Preclinical
Molecular Formula: C26H20F3N4O+
Molecular Weight: 461.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N[N+](=O)CCc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(ccc4ccccc43)c2)cc1
Standard InChI: InChI=1S/C26H20F3N4O/c27-26(28,29)25-16-24(33(31-25)21-10-5-17(6-11-21)13-14-32(30)34)20-9-12-23-19(15-20)8-7-18-3-1-2-4-22(18)23/h1-12,15-16H,13-14H2,(H2,30,34)/q+1
Standard InChI Key: ZTVMEIWHVXTVAD-UHFFFAOYSA-N
Associated Targets(Human)
3-phosphoinositide dependent protein kinase-1 3758 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 461.47 | Molecular Weight (Monoisotopic): 461.1584 | AlogP: 6.06 | #Rotatable Bonds: 5 |
| Polar Surface Area: 63.92 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.07 | CX Basic pKa: | CX LogP: 4.95 | CX LogD: 4.94 |
| Aromatic Rings: 5 | Heavy Atoms: 34 | QED Weighted: 0.15 | Np Likeness Score: -0.75 |
References
| 1. (2014) Anti-infective agents against intracellular pathogens, |
Source
Source(1):