| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4473996
Max Phase: Preclinical
Molecular Formula: C29H29N3O4
Molecular Weight: 483.57
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1ccccc1NC(=O)N1CCc2c([nH]c3ccc(OC)cc23)C1c1ccc(C)cc1
Standard InChI: InChI=1S/C29H29N3O4/c1-4-36-28(33)22-7-5-6-8-24(22)31-29(34)32-16-15-21-23-17-20(35-3)13-14-25(23)30-26(21)27(32)19-11-9-18(2)10-12-19/h5-14,17,27,30H,4,15-16H2,1-3H3,(H,31,34)
Standard InChI Key: NWNGIYWDJZHWRO-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: 483.57 | Molecular Weight (Monoisotopic): 483.2158 | AlogP: 5.84 | #Rotatable Bonds: 5 |
| 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: 12.15 | CX Basic pKa: | CX LogP: 6.26 | CX LogD: 6.26 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.35 | Np Likeness Score: -0.90 |
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):