| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1802785
Max Phase: Preclinical
Molecular Formula: C22H20FN5
Molecular Weight: 373.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Fc1ccc(N2CCN(c3nccc(-c4c[nH]c5ccccc45)n3)CC2)cc1
Standard InChI: InChI=1S/C22H20FN5/c23-16-5-7-17(8-6-16)27-11-13-28(14-12-27)22-24-10-9-21(26-22)19-15-25-20-4-2-1-3-18(19)20/h1-10,15,25H,11-14H2
Standard InChI Key: BZRCPNHODFSVAV-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: 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: 373.44 | Molecular Weight (Monoisotopic): 373.1703 | AlogP: 4.09 | #Rotatable Bonds: 3 |
| Polar Surface Area: 48.05 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.40 | CX LogP: 4.85 | CX LogD: 4.85 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.59 | Np Likeness Score: -1.40 |
References
| 1. Bryk R, Wu K, Raimundo BC, Boardman PE, Chao P, Conn GL, Anderson E, Cole JL, Duffy NP, Nathan C, Griffin JH.. (2011) Identification of new inhibitors of protein kinase R guided by statistical modeling., 21 (13): [PMID:21632247] [10.1016/j.bmcl.2011.04.149] |
Source
Source(1):