| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA75918
Max Phase: Preclinical
Molecular Formula: C14H23N5O5
Molecular Weight: 341.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(Cn1c(N)nc2c(ncn2COCCO)c1=O)OCC
Standard InChI: InChI=1S/C14H23N5O5/c1-3-23-10(24-4-2)7-19-13(21)11-12(17-14(19)15)18(8-16-11)9-22-6-5-20/h8,10,20H,3-7,9H2,1-2H3,(H2,15,17)
Standard InChI Key: KUVVDOKDEGBWKK-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: 341.37 | Molecular Weight (Monoisotopic): 341.1699 | AlogP: -0.46 | #Rotatable Bonds: 10 |
| Polar Surface Area: 126.65 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.53 | CX LogP: -0.38 | CX LogD: -0.38 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.44 | Np Likeness Score: -0.33 |
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):