| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276433
Max Phase: Preclinical
Molecular Formula: C13H20N6O2
Molecular Weight: 292.34
Associated Items:
Representations
Canonical SMILES: CNC1CCC(O)(Cn2cnc3c(N)ncnc32)C(O)C1
Standard InChI: InChI=1S/C13H20N6O2/c1-15-8-2-3-13(21,9(20)4-8)5-19-7-18-10-11(14)16-6-17-12(10)19/h6-9,15,20-21H,2-5H2,1H3,(H2,14,16,17)
Standard InChI Key: RVDGBSBNYFQHKG-UHFFFAOYSA-N
Associated Targets(Human)
N6-adenosine-methyltransferase catalytic subunit 617 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 292.34 | Molecular Weight (Monoisotopic): 292.1648 | AlogP: -0.73 | #Rotatable Bonds: 3 |
| Polar Surface Area: 122.11 | Molecular Species: BASE | HBA: 8 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.25 | CX Basic pKa: 9.88 | CX LogP: -1.48 | CX LogD: -3.89 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.59 | Np Likeness Score: 0.74 |
References
| 1. Xu P, Ge R.. (2022) Roles and drug development of METTL3 (methyltransferase-like 3) in anti-tumor therapy., 230 [PMID:35063732] [10.1016/j.ejmech.2022.114118] |
Source
Source(1):