| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3827970
Max Phase: Preclinical
Molecular Formula: C36H38ClN7OSi
Molecular Weight: 648.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)[Si](OC[C@H]1C[C@@H](Cn2cnc3c(Cl)nc(N)nc32)c2cn(Cc3ccccc3)nc21)(c1ccccc1)c1ccccc1
Standard InChI: InChI=1S/C36H38ClN7OSi/c1-36(2,3)46(28-15-9-5-10-16-28,29-17-11-6-12-18-29)45-23-27-19-26(21-43-24-39-32-33(37)40-35(38)41-34(32)43)30-22-44(42-31(27)30)20-25-13-7-4-8-14-25/h4-18,22,24,26-27H,19-21,23H2,1-3H3,(H2,38,40,41)/t26-,27+/m0/s1
Standard InChI Key: VSGJCPJLOHPTAS-RRPNLBNLSA-N
Associated Targets(non-human)
Cytomegalovirus 1023 Activities
Human alphaherpesvirus 3 4092 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: Small molecule | 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 |
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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: 648.29 | Molecular Weight (Monoisotopic): 647.2596 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. Wróblewski AE, Głowacka IE, Piotrowska DG.. (2016) 1'-Homonucleosides and their structural analogues: A review., 118 [PMID:27128178] [10.1016/j.ejmech.2016.04.034] |
Source
Source(1):