| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4291177
Max Phase: Preclinical
Molecular Formula: C22H21N3O3
Molecular Weight: 375.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1c2cc(-c3ccccc3)n(-c3ccccc3)c2ncn1CCOCCO
Standard InChI: InChI=1S/C22H21N3O3/c26-12-14-28-13-11-24-16-23-21-19(22(24)27)15-20(17-7-3-1-4-8-17)25(21)18-9-5-2-6-10-18/h1-10,15-16,26H,11-14H2
Standard InChI Key: XCGPRORKPGDSQX-UHFFFAOYSA-N
Associated Targets(non-human)
unidentified influenza virus 265 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: 375.43 | Molecular Weight (Monoisotopic): 375.1583 | AlogP: 2.86 | #Rotatable Bonds: 7 |
| Polar Surface Area: 69.28 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.47 | CX LogP: 2.83 | CX LogD: 2.83 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.50 | Np Likeness Score: -1.05 |
References
| 1. Pathania S, Rawal RK.. (2018) Pyrrolopyrimidines: An update on recent advancements in their medicinal attributes., 157 [PMID:30114661] [10.1016/j.ejmech.2018.08.023] |
Source
Source(1):