| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989302
Max Phase: Preclinical
Molecular Formula: C19H19N7O2
Molecular Weight: 377.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)N1CCN(c2ccc3ncc(-c4ccc5onc(N)c5c4)n3n2)CC1
Standard InChI: InChI=1S/C19H19N7O2/c1-12(27)24-6-8-25(9-7-24)18-5-4-17-21-11-15(26(17)22-18)13-2-3-16-14(10-13)19(20)23-28-16/h2-5,10-11H,6-9H2,1H3,(H2,20,23)
Standard InChI Key: SLVUKEGZBQNOLC-UHFFFAOYSA-N
Associated Targets(non-human)
Methionyl-tRNA synthetase, putative 70331 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: 377.41 | Molecular Weight (Monoisotopic): 377.1600 | AlogP: 1.79 | #Rotatable Bonds: 2 |
| Polar Surface Area: 105.79 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.98 | CX LogP: 1.15 | CX LogD: 1.15 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.57 | Np Likeness Score: -1.84 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):