| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4553124
Max Phase: Preclinical
Molecular Formula: C27H24ClN3O4
Molecular Weight: 489.96
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)c1cccc(NC(=O)N2CCc3c([nH]c4ccc(Cl)cc34)C2c2ccc(OC)cc2)c1
Standard InChI: InChI=1S/C27H24ClN3O4/c1-34-20-9-6-16(7-10-20)25-24-21(22-15-18(28)8-11-23(22)30-24)12-13-31(25)27(33)29-19-5-3-4-17(14-19)26(32)35-2/h3-11,14-15,25,30H,12-13H2,1-2H3,(H,29,33)
Standard InChI Key: VSJJADAJIRPUSG-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: 489.96 | Molecular Weight (Monoisotopic): 489.1455 | AlogP: 5.80 | #Rotatable Bonds: 4 |
| Polar Surface Area: 83.66 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.92 | CX Basic pKa: | CX LogP: 5.34 | CX LogD: 5.34 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.35 | Np Likeness Score: -1.04 |
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):