| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989300
Max Phase: Preclinical
Molecular Formula: C19H28N4OS
Molecular Weight: 360.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(O)CNc1nc(CN2CCCCC2)nc2sc3c(c12)CCCC3
Standard InChI: InChI=1S/C19H28N4OS/c1-13(24)11-20-18-17-14-7-3-4-8-15(14)25-19(17)22-16(21-18)12-23-9-5-2-6-10-23/h13,24H,2-12H2,1H3,(H,20,21,22)
Standard InChI Key: NAINCXUNBSSXAE-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: 360.53 | Molecular Weight (Monoisotopic): 360.1984 | AlogP: 3.35 | #Rotatable Bonds: 5 |
| Polar Surface Area: 61.28 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.92 | CX LogP: 3.90 | CX LogD: 3.77 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.86 | Np Likeness Score: -1.86 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):