| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5274956
Max Phase: Preclinical
Molecular Formula: C23H20N2O3
Molecular Weight: 372.42
Associated Items:
Representations
Canonical SMILES: CCc1ccc2oc(-c3cc(/N=C/c4cccc(C)c4O)ccc3O)nc2c1
Standard InChI: InChI=1S/C23H20N2O3/c1-3-15-7-10-21-19(11-15)25-23(28-21)18-12-17(8-9-20(18)26)24-13-16-6-4-5-14(2)22(16)27/h4-13,26-27H,3H2,1-2H3/b24-13+
Standard InChI Key: ZWFLDUOEZJJQLJ-ZMOGYAJESA-N
Associated Targets(Human)
PRMT5 Tchem Protein arginine N-methyltransferase 5 (1273 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 372.42 | Molecular Weight (Monoisotopic): 372.1474 | AlogP: 5.53 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.85 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.79 | CX Basic pKa: 2.02 | CX LogP: 6.08 | CX LogD: 5.38 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.46 | Np Likeness Score: -1.09 |
References
| 1. Fu S, Zheng Q, Zhang D, Lin C, Ouyang L, Zhang J, Chen L.. (2022) Medicinal chemistry strategies targeting PRMT5 for cancer therapy., 244 [PMID:36274274] [10.1016/j.ejmech.2022.114842] |
Source
Source(1):