| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4566335
Max Phase: Preclinical
Molecular Formula: C15H14ClN5O2
Molecular Weight: 295.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(OC)c(-c2cn3ccc(N)nc3n2)cc1C#N.Cl
Standard InChI: InChI=1S/C15H13N5O2.ClH/c1-21-12-6-13(22-2)10(5-9(12)7-16)11-8-20-4-3-14(17)19-15(20)18-11;/h3-6,8H,1-2H3,(H2,17,18,19);1H
Standard InChI Key: IWMBNYOBQZRXPA-UHFFFAOYSA-N
Associated Targets(Human)
Histone-lysine N-methyltransferase SUV39H2 524 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: 295.30 | Molecular Weight (Monoisotopic): 295.1069 | AlogP: 1.87 | #Rotatable Bonds: 3 |
| Polar Surface Area: 98.46 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.41 | CX LogP: 1.15 | CX LogD: 1.15 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.79 | Np Likeness Score: -1.05 |
References
| 1. (2018) Bicyclic compound and use thereof for inhibiting suv39h2, |
Source
Source(1):