| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3922103
Max Phase: Preclinical
Molecular Formula: C25H19F2N5O3
Molecular Weight: 475.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOc1ncnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc12
Standard InChI: InChI=1S/C25H19F2N5O3/c1-2-35-24-18-10-16(6-8-22(18)30-14-31-24)4-3-9-29-23(33)19-12-28-15-32(25(19)34)13-17-5-7-20(26)21(27)11-17/h5-8,10-12,14-15H,2,9,13H2,1H3,(H,29,33)
Standard InChI Key: PAJVYJKMJKBPBI-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: 475.46 | Molecular Weight (Monoisotopic): 475.1456 | AlogP: 2.69 | #Rotatable Bonds: 6 |
| Polar Surface Area: 99.00 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.69 | CX Basic pKa: 2.89 | CX LogP: 3.12 | CX LogD: 3.12 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.43 | Np Likeness Score: -1.92 |
References
| 1. (2013) Chemical compounds, |
Source
Source(1):