| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3717429
Max Phase: Preclinical
Molecular Formula: C20H16ClN3O
Molecular Weight: 349.82
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn2c(=O)cc(-c3ccccc3)[nH]c2c1Cc1ccc(Cl)cc1
Standard InChI: InChI=1S/C20H16ClN3O/c1-13-17(11-14-7-9-16(21)10-8-14)20-22-18(12-19(25)24(20)23-13)15-5-3-2-4-6-15/h2-10,12,22H,11H2,1H3
Standard InChI Key: RVHSRQZIOSJQRP-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: 349.82 | Molecular Weight (Monoisotopic): 349.0982 | AlogP: 4.24 | #Rotatable Bonds: 3 |
| Polar Surface Area: 50.16 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.32 | CX Basic pKa: 0.59 | CX LogP: 4.23 | CX LogD: 4.23 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.60 | Np Likeness Score: -1.20 |
References
| 1. (2012) Heterocyclic compounds for the inhibition of pask, |
| 2. (2012) Heterocyclic compounds for the inhibition of pask, |
Source
Source(1):