| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5283850
Max Phase: Preclinical
Molecular Formula: C11H8N4OS2
Molecular Weight: 276.35
Associated Items:
Representations
Canonical SMILES: Cc1nc2ccccc2c(=O)n1-c1nnc(S)s1
Standard InChI: InChI=1S/C11H8N4OS2/c1-6-12-8-5-3-2-4-7(8)9(16)15(6)10-13-14-11(17)18-10/h2-5H,1H3,(H,14,17)
Standard InChI Key: VLCJTAGXWCJKPC-UHFFFAOYSA-N
Associated Targets(non-human)
Ehrlich 1318 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: 276.35 | Molecular Weight (Monoisotopic): 276.0140 | AlogP: 1.83 | #Rotatable Bonds: 1 |
| Polar Surface Area: 60.67 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.56 | CX Basic pKa: 0.21 | CX LogP: 1.89 | CX LogD: 1.09 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.69 | Np Likeness Score: -1.68 |
References
| 1. Plescia F, Maggio B, Daidone G, Raffa D.. (2021) 4-(3H)-quinazolinones N-3 substituted with a five membered heterocycle: A promising scaffold towards bioactive molecules., 213 [PMID:33309162] [10.1016/j.ejmech.2020.113070] |
Source
Source(1):