| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989312
Max Phase: Preclinical
Molecular Formula: C19H23N5S
Molecular Weight: 353.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)n(-c2nc(N3CCCC3)c3c4c(sc3n2)CCCC4)n1
Standard InChI: InChI=1S/C19H23N5S/c1-12-11-13(2)24(22-12)19-20-17(23-9-5-6-10-23)16-14-7-3-4-8-15(14)25-18(16)21-19/h11H,3-10H2,1-2H3
Standard InChI Key: LANUQUGMTDTKDV-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: 353.50 | Molecular Weight (Monoisotopic): 353.1674 | AlogP: 3.97 | #Rotatable Bonds: 2 |
| Polar Surface Area: 46.84 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.34 | CX LogP: 5.08 | CX LogD: 5.08 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.70 | Np Likeness Score: -2.66 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):