| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5086203
Max Phase: Preclinical
Molecular Formula: C24H25N7
Molecular Weight: 411.51
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1cc(-n2cc(Cc3ccc4cc(CNCC5CCC5)[nH]c4c3)nn2)c2cn[nH]c2c1
Standard InChI: InChI=1S/C24H25N7/c1-3-16(4-1)12-25-13-19-11-18-8-7-17(10-23(18)27-19)9-20-15-31(30-28-20)24-6-2-5-22-21(24)14-26-29-22/h2,5-8,10-11,14-16,25,27H,1,3-4,9,12-13H2,(H,26,29)
Standard InChI Key: NQXDOLKLZACGLB-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: 411.51 | Molecular Weight (Monoisotopic): 411.2171 | AlogP: 4.11 | #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: 9.71 | CX LogP: 3.77 | CX LogD: 1.50 |
| Aromatic Rings: 5 | Heavy Atoms: 31 | QED Weighted: 0.38 | Np Likeness Score: -1.34 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):