| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989306
Max Phase: Preclinical
Molecular Formula: C6H8ClN3O
Molecular Weight: 173.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: OCCNc1ccnc(Cl)n1
Standard InChI: InChI=1S/C6H8ClN3O/c7-6-9-2-1-5(10-6)8-3-4-11/h1-2,11H,3-4H2,(H,8,9,10)
Standard InChI Key: BFMJFUXSPYIYBK-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: 173.60 | Molecular Weight (Monoisotopic): 173.0356 | AlogP: 0.53 | #Rotatable Bonds: 3 |
| Polar Surface Area: 58.04 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.67 | CX LogP: 0.34 | CX LogD: 0.34 |
| Aromatic Rings: 1 | Heavy Atoms: 11 | QED Weighted: 0.66 | Np Likeness Score: -1.17 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):