| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3950250
Max Phase: Preclinical
Molecular Formula: C26H20F2N6O3
Molecular Weight: 502.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1cnc2ccc(C#CCNC(=O)c3cncn(Cc4ccc(F)c(F)c4)c3=O)cc2n1
Standard InChI: InChI=1S/C26H20F2N6O3/c1-33(2)26(37)23-13-31-21-8-6-16(11-22(21)32-23)4-3-9-30-24(35)18-12-29-15-34(25(18)36)14-17-5-7-19(27)20(28)10-17/h5-8,10-13,15H,9,14H2,1-2H3,(H,30,35)
Standard InChI Key: UGLORVLQPHMQCU-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: 502.48 | Molecular Weight (Monoisotopic): 502.1565 | AlogP: 2.00 | #Rotatable Bonds: 5 |
| Polar Surface Area: 110.08 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.65 | CX Basic pKa: 0.39 | CX LogP: 1.89 | CX LogD: 1.89 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.42 | Np Likeness Score: -1.95 |
References
| 1. (2013) Chemical compounds, |
Source
Source(1):