| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5278213
Max Phase: Preclinical
Molecular Formula: C18H16N6O
Molecular Weight: 332.37
Associated Items:
Representations
Canonical SMILES: Cc1cc2nc(Cc3nncn3-c3ccccn3)c(=O)[nH]c2cc1C
Standard InChI: InChI=1S/C18H16N6O/c1-11-7-13-14(8-12(11)2)22-18(25)15(21-13)9-17-23-20-10-24(17)16-5-3-4-6-19-16/h3-8,10H,9H2,1-2H3,(H,22,25)
Standard InChI Key: BPGLHHFLHCUZKM-UHFFFAOYSA-N
Associated Targets(non-human)
Cytomegalovirus 1023 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: 332.37 | Molecular Weight (Monoisotopic): 332.1386 | AlogP: 2.11 | #Rotatable Bonds: 3 |
| Polar Surface Area: 89.35 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.65 | CX Basic pKa: 2.91 | CX LogP: 2.65 | CX LogD: 2.65 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.62 | Np Likeness Score: -1.91 |
References
| 1. Aggarwal R, Sumran G.. (2020) An insight on medicinal attributes of 1,2,4-triazoles., 205 [PMID:32771798] [10.1016/j.ejmech.2020.112652] |
Source
Source(1):