| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3310040
Max Phase: Preclinical
Molecular Formula: C19H14N2O2
Molecular Weight: 302.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc2nc(-c3ccc4ccccc4c3)[nH]c(=O)c2c1
Standard InChI: InChI=1S/C19H14N2O2/c1-23-15-8-9-17-16(11-15)19(22)21-18(20-17)14-7-6-12-4-2-3-5-13(12)10-14/h2-11H,1H3,(H,20,21,22)
Standard InChI Key: BLHHDKLGSJTBEJ-UHFFFAOYSA-N
Associated Targets(Human)
M21 1715 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: 302.33 | Molecular Weight (Monoisotopic): 302.1055 | AlogP: 3.75 | #Rotatable Bonds: 2 |
| Polar Surface Area: 54.98 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.97 | CX Basic pKa: 5.20 | CX LogP: 3.46 | CX LogD: 3.39 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.61 | Np Likeness Score: -0.73 |
References
| 1. Khan I, Ibrar A, Abbas N, Saeed A.. (2014) Recent advances in the structural library of functionalized quinazoline and quinazolinone scaffolds: synthetic approaches and multifarious applications., 76 [PMID:24583357] [10.1016/j.ejmech.2014.02.005] |
Source
Source(1):