| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5087448
Max Phase: Preclinical
Molecular Formula: C26H26N6
Molecular Weight: 422.54
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: c1ccc2c(-n3cc(Cc4ccc5cc(CNCC6CCC6)[nH]c5c4)nn3)cncc2c1
Standard InChI: InChI=1S/C26H26N6/c1-2-7-24-21(6-1)14-28-16-26(24)32-17-23(30-31-32)10-19-8-9-20-12-22(29-25(20)11-19)15-27-13-18-4-3-5-18/h1-2,6-9,11-12,14,16-18,27,29H,3-5,10,13,15H2
Standard InChI Key: ZPWPJARNYIVPFW-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: 422.54 | Molecular Weight (Monoisotopic): 422.2219 | AlogP: 4.78 | #Rotatable Bonds: 7 |
| Polar Surface Area: 71.42 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.71 | CX LogP: 4.22 | CX LogD: 1.95 |
| Aromatic Rings: 5 | Heavy Atoms: 32 | QED Weighted: 0.40 | Np Likeness Score: -1.05 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):