| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5291234
Max Phase: Preclinical
Molecular Formula: C25H28N6O2
Molecular Weight: 444.54
Associated Items:
Representations
Canonical SMILES: O=C(NCc1cn2cc(CNCC3CCCCC3)ccc2n1)c1cc(=O)n2ccccc2n1
Standard InChI: InChI=1S/C25H28N6O2/c32-24-12-21(29-23-8-4-5-11-31(23)24)25(33)27-15-20-17-30-16-19(9-10-22(30)28-20)14-26-13-18-6-2-1-3-7-18/h4-5,8-12,16-18,26H,1-3,6-7,13-15H2,(H,27,33)
Standard InChI Key: OBERVORNENYOLE-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: 444.54 | Molecular Weight (Monoisotopic): 444.2274 | AlogP: 2.94 | #Rotatable Bonds: 7 |
| Polar Surface Area: 92.80 | Molecular Species: BASE | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.70 | CX Basic pKa: 9.45 | CX LogP: 1.85 | CX LogD: -0.19 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.46 | Np Likeness Score: -1.84 |
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):