| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280116
Max Phase: Preclinical
Molecular Formula: C19H17N5O2
Molecular Weight: 347.38
Associated Items:
Representations
Canonical SMILES: O=C(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(N2CCNC2=O)cc1
Standard InChI: InChI=1S/C19H17N5O2/c25-18(14-6-8-15(9-7-14)24-11-10-20-19(24)26)21-17-12-16(22-23-17)13-4-2-1-3-5-13/h1-9,12H,10-11H2,(H,20,26)(H2,21,22,23,25)
Standard InChI Key: NOHRXXPPZUBUTG-UHFFFAOYSA-N
Associated Targets(Human)
Interferon-induced, double-stranded RNA-activated protein kinase 504 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 347.38 | Molecular Weight (Monoisotopic): 347.1382 | AlogP: 2.86 | #Rotatable Bonds: 4 |
| Polar Surface Area: 90.12 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.04 | CX Basic pKa: 1.58 | CX LogP: 2.35 | CX LogD: 2.35 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.68 | Np Likeness Score: -1.82 |
References
| 1. Cusack KP, Argiriadi MA, Gordon TD, Harris CM, Herold JM, Hoemann MZ, Yestrepsky BD.. (2023) Identification of potent and selective inhibitors of PKR via virtual screening and traditional design., 79 [PMID:36400288] [10.1016/j.bmcl.2022.129047] |
Source
Source(1):