| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989314
Max Phase: Preclinical
Molecular Formula: C18H26N4S
Molecular Weight: 330.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1sc2nc(CN3CCCC3)nc(NC3CCCC3)c2c1C
Standard InChI: InChI=1S/C18H26N4S/c1-12-13(2)23-18-16(12)17(19-14-7-3-4-8-14)20-15(21-18)11-22-9-5-6-10-22/h14H,3-11H2,1-2H3,(H,19,20,21)
Standard InChI Key: DPZOUQIZUIVVPS-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: 330.50 | Molecular Weight (Monoisotopic): 330.1878 | AlogP: 4.26 | #Rotatable Bonds: 4 |
| Polar Surface Area: 41.05 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.07 | CX LogP: 4.67 | CX LogD: 4.50 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.91 | Np Likeness Score: -2.06 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):