| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5203240
Max Phase: Preclinical
Molecular Formula: C22H18FN5O
Molecular Weight: 387.42
Associated Items:
Representations
Canonical SMILES: Cc1ncccc1-c1cnc(NCC2Cc3cc(F)ccc3O2)c2cncnc12
Standard InChI: InChI=1S/C22H18FN5O/c1-13-17(3-2-6-25-13)18-11-27-22(19-10-24-12-28-21(18)19)26-9-16-8-14-7-15(23)4-5-20(14)29-16/h2-7,10-12,16H,8-9H2,1H3,(H,26,27)
Standard InChI Key: AXFZDSVXHNRVJV-UHFFFAOYSA-N
Associated Targets(Human)
Polycomb protein EED 645 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: 387.42 | Molecular Weight (Monoisotopic): 387.1495 | AlogP: 3.95 | #Rotatable Bonds: 4 |
| Polar Surface Area: 72.82 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.33 | CX LogP: 2.72 | CX LogD: 2.72 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.57 | Np Likeness Score: -1.01 |
References
| 1. Zhao Y, Guan YY, Zhao F, Yu T, Zhang SJ, Zhang YZ, Duan YC, Zhou XL.. (2022) Recent strategies targeting Embryonic Ectoderm Development (EED) for cancer therapy: Allosteric inhibitors, PPI inhibitors, and PROTACs., 231 [PMID:35093670] [10.1016/j.ejmech.2022.114144] |
Source
Source(1):