| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5085032
Max Phase: Preclinical
Molecular Formula: C24H23FN8
Molecular Weight: 442.50
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: FC12CC(CNCc3cc4cnc(Cn5cc(-c6cccn7cncc67)nn5)cc4[nH]3)(C1)C2
Standard InChI: InChI=1S/C24H23FN8/c25-24-11-23(12-24,13-24)14-26-7-17-4-16-6-28-18(5-20(16)29-17)9-33-10-21(30-31-33)19-2-1-3-32-15-27-8-22(19)32/h1-6,8,10,15,26,29H,7,9,11-14H2
Standard InChI Key: OPKWWOFRAWVTQV-UHFFFAOYSA-N
Associated Targets(Human)
METTL3 Tbio METTL3/METTL14 (156 Activities)
Kasumi 1 (420 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Caov-3 cell line (328 Activities)
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 442.50 | Molecular Weight (Monoisotopic): 442.2030 | AlogP: 3.50 | #Rotatable Bonds: 7 |
| Polar Surface Area: 88.72 | Molecular Species: BASE | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.85 | CX Basic pKa: 9.57 | CX LogP: 1.21 | CX LogD: -1.49 |
| Aromatic Rings: 5 | Heavy Atoms: 33 | QED Weighted: 0.40 | Np Likeness Score: -1.28 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):