| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989301
Max Phase: Preclinical
Molecular Formula: C15H17N5S
Molecular Weight: 299.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(N)n(-c2nc(C)nc3sc4c(c23)CCCC4)n1
Standard InChI: InChI=1S/C15H17N5S/c1-8-7-12(16)20(19-8)14-13-10-5-3-4-6-11(10)21-15(13)18-9(2)17-14/h7H,3-6,16H2,1-2H3
Standard InChI Key: NJQMDNWLMPOLOY-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: 299.40 | Molecular Weight (Monoisotopic): 299.1205 | AlogP: 2.95 | #Rotatable Bonds: 1 |
| Polar Surface Area: 69.62 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.68 | CX LogP: 3.33 | CX LogD: 3.33 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.75 | Np Likeness Score: -2.47 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):