| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5074621
Max Phase: Preclinical
Molecular Formula: C24H23F2N7
Molecular Weight: 447.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: FC1(F)CC(CNCc2cc3ccc(Cc4cn(-c5cccn6cncc56)nn4)cc3[nH]2)C1
Standard InChI: InChI=1S/C24H23F2N7/c25-24(26)9-17(10-24)11-27-12-19-8-18-4-3-16(7-21(18)29-19)6-20-14-33(31-30-20)22-2-1-5-32-15-28-13-23(22)32/h1-5,7-8,13-15,17,27,29H,6,9-12H2
Standard InChI Key: GTTUPSINADGZDV-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: 447.49 | Molecular Weight (Monoisotopic): 447.1983 | AlogP: 4.12 | #Rotatable Bonds: 7 |
| Polar Surface Area: 75.83 | 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: 9.70 | CX LogP: 2.37 | CX LogD: 0.05 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.39 | Np Likeness Score: -1.15 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):