| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5087353
Max Phase: Preclinical
Molecular Formula: C26H27N7O
Molecular Weight: 453.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cnc(C#N)c(-c2cn(Cc3ccc4cc(CN5CCC6(CCC6)C5)[nH]c4c3)nn2)c1
Standard InChI: InChI=1S/C26H27N7O/c1-34-21-11-22(24(12-27)28-13-21)25-16-33(31-30-25)14-18-3-4-19-10-20(29-23(19)9-18)15-32-8-7-26(17-32)5-2-6-26/h3-4,9-11,13,16,29H,2,5-8,14-15,17H2,1H3
Standard InChI Key: HGJWWKQXSAHGKQ-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: 453.55 | Molecular Weight (Monoisotopic): 453.2277 | AlogP: 4.13 | #Rotatable Bonds: 6 |
| Polar Surface Area: 95.65 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.82 | CX LogP: 3.73 | CX LogD: 2.30 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.47 | Np Likeness Score: -1.35 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):