| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5088959
Max Phase: Preclinical
Molecular Formula: C24H23F2N7
Molecular Weight: 447.49
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: FC1(F)CC(CNCc2cc3ccc(Cc4cn(-c5cccc6[nH]ncc56)nn4)cc3[nH]2)C1
Standard InChI: InChI=1S/C24H23F2N7/c25-24(26)9-16(10-24)11-27-12-18-8-17-5-4-15(7-22(17)29-18)6-19-14-33(32-30-19)23-3-1-2-21-20(23)13-28-31-21/h1-5,7-8,13-14,16,27,29H,6,9-12H2,(H,28,31)
Standard InChI Key: ZVIAYUOYKHFOPG-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: 4.35 | #Rotatable Bonds: 7 |
| Polar Surface Area: 87.21 | Molecular Species: BASE | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.90 | CX Basic pKa: 9.69 | CX LogP: 3.26 | CX LogD: 1.01 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.35 | Np Likeness Score: -1.21 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):