| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4587750
Max Phase: Preclinical
Molecular Formula: C19H21Br2N5O2
Molecular Weight: 349.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Br.Br.COc1cc(OC)c(-c2cn3ccc(N4CCCC4)nc3n2)cc1C#N
Standard InChI: InChI=1S/C19H19N5O2.2BrH/c1-25-16-10-17(26-2)14(9-13(16)11-20)15-12-24-8-5-18(22-19(24)21-15)23-6-3-4-7-23;;/h5,8-10,12H,3-4,6-7H2,1-2H3;2*1H
Standard InChI Key: HTRZOEHNMFKUKR-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: 349.39 | Molecular Weight (Monoisotopic): 349.1539 | AlogP: 2.89 | #Rotatable Bonds: 4 |
| Polar Surface Area: 75.68 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.34 | CX LogP: 2.49 | CX LogD: 2.49 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.72 | Np Likeness Score: -1.50 |
References
| 1. (2018) Bicyclic compound and use thereof for inhibiting suv39h2, |
Source
Source(1):