| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270921
Max Phase: Preclinical
Molecular Formula: C18H27N7O4
Molecular Weight: 405.46
Associated Items:
Representations
Canonical SMILES: Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(=O)NCCCCN2CCCC2)[C@@H](O)[C@H]1O
Standard InChI: InChI=1S/C18H27N7O4/c19-15-11-16(22-9-21-15)25(10-23-11)18-13(27)12(26)14(29-18)17(28)20-5-1-2-6-24-7-3-4-8-24/h9-10,12-14,18,26-27H,1-8H2,(H,20,28)(H2,19,21,22)/t12-,13+,14-,18+/m0/s1
Standard InChI Key: JMNRGOYZLMWBLZ-MOROJQBDSA-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: 405.46 | Molecular Weight (Monoisotopic): 405.2125 | AlogP: -0.98 | #Rotatable Bonds: 7 |
| Polar Surface Area: 151.65 | Molecular Species: BASE | HBA: 10 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.40 | CX Basic pKa: 9.83 | CX LogP: -1.35 | CX LogD: -3.75 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.43 | Np Likeness Score: 0.00 |
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):