| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA310434
Max Phase: Preclinical
Molecular Formula: C15H25N5O6
Molecular Weight: 371.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(Cn1c(N)nc2c(ncn2COC(CO)CO)c1=O)OCC
Standard InChI: InChI=1S/C15H25N5O6/c1-3-24-11(25-4-2)5-20-14(23)12-13(18-15(20)16)19(8-17-12)9-26-10(6-21)7-22/h8,10-11,21-22H,3-7,9H2,1-2H3,(H2,16,18)
Standard InChI Key: JOBZLEYKWXQNTJ-UHFFFAOYSA-N
Associated Targets(Human)
HEL 6614 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 371.39 | Molecular Weight (Monoisotopic): 371.1805 | AlogP: -1.10 | #Rotatable Bonds: 11 |
| Polar Surface Area: 146.88 | Molecular Species: NEUTRAL | HBA: 11 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 11 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 1.47 | CX LogP: -1.01 | CX LogD: -1.01 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.42 | Np Likeness Score: 0.03 |
References
| 1. Boryski J, Golankiewicz B, De Clercq E.. (1991) Synthesis and antiviral activity of 3-substituted derivatives of 3,9-dihydro-9-oxo-5H-imidazo[1,2-a]purines, tricyclic analogues of acyclovir and ganciclovir., 34 (8): [PMID:1652016] [10.1021/jm00112a010] |
Source
Source(1):