| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989310
Max Phase: Preclinical
Molecular Formula: C18H24N4OS
Molecular Weight: 344.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCNC(=O)C1CCCN(c2nc(C)nc3sc4c(c23)CCC4)C1
Standard InChI: InChI=1S/C18H24N4OS/c1-3-19-17(23)12-6-5-9-22(10-12)16-15-13-7-4-8-14(13)24-18(15)21-11(2)20-16/h12H,3-10H2,1-2H3,(H,19,23)
Standard InChI Key: NANVQEKOWRYMDE-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: 344.48 | Molecular Weight (Monoisotopic): 344.1671 | AlogP: 2.84 | #Rotatable Bonds: 3 |
| Polar Surface Area: 58.12 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.69 | CX LogP: 3.72 | CX LogD: 3.72 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.93 | Np Likeness Score: -2.65 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):