| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3989309
Max Phase: Preclinical
Molecular Formula: C10H16N6O
Molecular Weight: 236.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1nc(NCCO)c2cnn(C)c2n1
Standard InChI: InChI=1S/C10H16N6O/c1-15(2)10-13-8(11-4-5-17)7-6-12-16(3)9(7)14-10/h6,17H,4-5H2,1-3H3,(H,11,13,14)
Standard InChI Key: NKRROJRFTFPGFT-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: 236.28 | Molecular Weight (Monoisotopic): 236.1386 | AlogP: -0.17 | #Rotatable Bonds: 4 |
| Polar Surface Area: 79.10 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.40 | CX LogP: 0.03 | CX LogD: 0.02 |
| Aromatic Rings: 2 | Heavy Atoms: 17 | QED Weighted: 0.77 | Np Likeness Score: -1.99 |
References
| 1. University of Dundee. (2021) University of Dundee, Small-Polar-MMV Screening Library, [10.6019/CHEMBL3988442] |
Source
Source(1):