| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3717491
Max Phase: Preclinical
Molecular Formula: C19H14FN3O2
Molecular Weight: 335.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(-c2cc(=O)n3ncc(-c4ccc(F)cc4)c3[nH]2)cc1
Standard InChI: InChI=1S/C19H14FN3O2/c1-25-15-8-4-13(5-9-15)17-10-18(24)23-19(22-17)16(11-21-23)12-2-6-14(20)7-3-12/h2-11,22H,1H3
Standard InChI Key: RDTDBZZRDSVAHM-UHFFFAOYSA-N
Associated Targets(Human)
Casein kinase II alpha (prime) 1587 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: 335.34 | Molecular Weight (Monoisotopic): 335.1070 | AlogP: 3.50 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.39 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.19 | CX Basic pKa: 1.02 | CX LogP: 3.04 | CX LogD: 3.04 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.62 | Np Likeness Score: -1.23 |
References
| 1. (2012) Heterocyclic compounds for the inhibition of pask, |
| 2. (2012) Heterocyclic compounds for the inhibition of pask, |
Source
Source(1):