| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5281797
Max Phase: Preclinical
Molecular Formula: C20H21N5O3
Molecular Weight: 379.42
Associated Items:
Representations
Canonical SMILES: O=[N+]([O-])c1cccc(-c2cn(CC(O)CN3CCc4ccccc4C3)nn2)c1
Standard InChI: InChI=1S/C20H21N5O3/c26-19(12-23-9-8-15-4-1-2-5-17(15)11-23)13-24-14-20(21-22-24)16-6-3-7-18(10-16)25(27)28/h1-7,10,14,19,26H,8-9,11-13H2
Standard InChI Key: BKAFOCQEOFQHLA-UHFFFAOYSA-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: 379.42 | Molecular Weight (Monoisotopic): 379.1644 | AlogP: 2.27 | #Rotatable Bonds: 6 |
| Polar Surface Area: 97.32 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.39 | CX LogP: 3.15 | CX LogD: 2.12 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.52 | Np Likeness Score: -1.70 |
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):