| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267041
Max Phase: Preclinical
Molecular Formula: C22H18N2O4
Molecular Weight: 374.40
Associated Items:
Representations
Canonical SMILES: COc1cccc(/C=N/c2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1O
Standard InChI: InChI=1S/C22H18N2O4/c1-13-6-9-19-17(10-13)24-22(28-19)16-11-15(7-8-18(16)25)23-12-14-4-3-5-20(27-2)21(14)26/h3-12,25-26H,1-2H3/b23-12+
Standard InChI Key: QXKBGCOAKLEIOU-FSJBWODESA-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: 374.40 | Molecular Weight (Monoisotopic): 374.1267 | AlogP: 4.97 | #Rotatable Bonds: 4 |
| Polar Surface Area: 88.08 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.79 | CX Basic pKa: 1.83 | CX LogP: 4.97 | CX LogD: 4.27 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.49 | 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):