| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5281295
Max Phase: Preclinical
Molecular Formula: C18H19ClN4O4
Molecular Weight: 390.83
Associated Items:
Representations
Canonical SMILES: C[C@@](O)(c1ccc(Cl)cc1)[C@H]1O[C@@H](n2ccc3c(N)ncnc32)[C@H](O)[C@@H]1O
Standard InChI: InChI=1S/C18H19ClN4O4/c1-18(26,9-2-4-10(19)5-3-9)14-12(24)13(25)17(27-14)23-7-6-11-15(20)21-8-22-16(11)23/h2-8,12-14,17,24-26H,1H3,(H2,20,21,22)/t12-,13+,14-,17+,18+/m0/s1
Standard InChI Key: UZELPSNZTZPTEZ-IZOOLLGQSA-N
Associated Targets(Human)
PRMT5 Tchem Protein arginine N-methyltransferase 5 (1273 Activities)
A-375 (9258 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 390.83 | Molecular Weight (Monoisotopic): 390.1095 | AlogP: 1.19 | #Rotatable Bonds: 3 |
| Polar Surface Area: 126.65 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.38 | CX Basic pKa: 6.51 | CX LogP: 1.39 | CX LogD: 1.34 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.53 | Np Likeness Score: 0.18 |
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):