| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5085911
Max Phase: Preclinical
Molecular Formula: C23H26N6O
Molecular Weight: 402.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cncc(-c2cn(Cc3ccc4cc(CNCC5CCC5)[nH]c4c3)nn2)c1
Standard InChI: InChI=1S/C23H26N6O/c1-30-21-9-19(11-25-13-21)23-15-29(28-27-23)14-17-5-6-18-8-20(26-22(18)7-17)12-24-10-16-3-2-4-16/h5-9,11,13,15-16,24,26H,2-4,10,12,14H2,1H3
Standard InChI Key: UWZIRWYWTXUUPP-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: 402.50 | Molecular Weight (Monoisotopic): 402.2168 | AlogP: 3.77 | #Rotatable Bonds: 8 |
| Polar Surface Area: 80.65 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.71 | CX LogP: 3.20 | CX LogD: 0.94 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.47 | Np Likeness Score: -1.41 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):