| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5088748
Max Phase: Preclinical
Molecular Formula: C23H22ClN7
Molecular Weight: 431.93
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: N#Cc1ncc(Cl)cc1-c1cn(Cc2ccc3cc(CNCC4CCC4)[nH]c3c2)nn1
Standard InChI: InChI=1S/C23H22ClN7/c24-18-8-20(22(9-25)27-11-18)23-14-31(30-29-23)13-16-4-5-17-7-19(28-21(17)6-16)12-26-10-15-2-1-3-15/h4-8,11,14-15,26,28H,1-3,10,12-13H2
Standard InChI Key: HUODOKZLAUIXJF-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: 431.93 | Molecular Weight (Monoisotopic): 431.1625 | AlogP: 4.28 | #Rotatable Bonds: 7 |
| Polar Surface Area: 95.21 | 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: 9.71 | CX LogP: 4.21 | CX LogD: 1.94 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.45 | Np Likeness Score: -1.71 |
References
| 1. (2021) Polyheterocyclic compounds as mettl3 inhibitors, |
Source
Source(1):