| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4562097
Max Phase: Preclinical
Molecular Formula: C26H20ClF3N2O2
Molecular Weight: 484.91
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccc(C2c3[nH]c4ccc(Cl)cc4c3CCN2C(=O)c2ccc(C(F)(F)F)cc2)cc1
Standard InChI: InChI=1S/C26H20ClF3N2O2/c1-34-19-9-4-15(5-10-19)24-23-20(21-14-18(27)8-11-22(21)31-23)12-13-32(24)25(33)16-2-6-17(7-3-16)26(28,29)30/h2-11,14,24,31H,12-13H2,1H3
Standard InChI Key: DUGZPNYCEBCVKR-UHFFFAOYSA-N
Associated Targets(non-human)
Human gammaherpesvirus 4 1538 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 484.91 | Molecular Weight (Monoisotopic): 484.1165 | AlogP: 6.64 | #Rotatable Bonds: 3 |
| Polar Surface Area: 45.33 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 6.16 | CX LogD: 6.16 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.35 | Np Likeness Score: -1.01 |
References
| 1. Tikhmyanova N, Paparoidamis N, Romero-Masters J, Feng X, Mohammed FS, Reddy PAN, Kenney SC, Lieberman PM, Salvino JM.. (2019) Development of a novel inducer for EBV lytic therapy., 29 (16): [PMID:31255485] [10.1016/j.bmcl.2019.06.034] |
Source
Source(1):