| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5094112
Max Phase: Preclinical
Molecular Formula: C25H25N7O
Molecular Weight: 439.52
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cnc(C#N)c(-c2cn(Cc3ccc4cc(CNCC56CC(C5)C6)[nH]c4c3)nn2)c1
Standard InChI: InChI=1S/C25H25N7O/c1-33-20-6-21(23(10-26)28-12-20)24-14-32(31-30-24)13-16-2-3-18-5-19(29-22(18)4-16)11-27-15-25-7-17(8-25)9-25/h2-6,12,14,17,27,29H,7-9,11,13,15H2,1H3
Standard InChI Key: MNTXVOJQUOFQEA-UHFFFAOYSA-N
Associated Targets(Human)
METTL3 Tbio METTL3/METTL14 (156 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 439.52 | Molecular Weight (Monoisotopic): 439.2121 | AlogP: 3.64 | #Rotatable Bonds: 8 |
| Polar Surface Area: 104.44 | Molecular Species: BASE | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.56 | CX LogP: 3.20 | CX LogD: 1.07 |
| Aromatic Rings: 4 | Heavy Atoms: 33 | QED Weighted: 0.43 | Np Likeness Score: -1.37 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):