| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4589556
Max Phase: Preclinical
Molecular Formula: C16H16BrClN2O2
Molecular Weight: 302.76
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Br.COc1cc(OC)c(-c2cn3ccc(C)cc3n2)cc1Cl
Standard InChI: InChI=1S/C16H15ClN2O2.BrH/c1-10-4-5-19-9-13(18-16(19)6-10)11-7-12(17)15(21-3)8-14(11)20-2;/h4-9H,1-3H3;1H
Standard InChI Key: PJSNSRANQRJMEP-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: 302.76 | Molecular Weight (Monoisotopic): 302.0822 | AlogP: 3.98 | #Rotatable Bonds: 3 |
| Polar Surface Area: 35.76 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.32 | CX LogP: 3.59 | CX LogD: 3.59 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.73 | Np Likeness Score: -1.61 |
References
| 1. (2018) Bicyclic compound and use thereof for inhibiting suv39h2, |
Source
Source(1):