| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2368583
Max Phase: Preclinical
Molecular Formula: C11H13ClN4O3
Molecular Weight: 284.70
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ncnc2c1cc(Cl)n2[C@H]1C[C@H](O)[C@@H](CO)O1
Standard InChI: InChI=1S/C11H13ClN4O3/c12-8-1-5-10(13)14-4-15-11(5)16(8)9-2-6(18)7(3-17)19-9/h1,4,6-7,9,17-18H,2-3H2,(H2,13,14,15)/t6-,7+,9+/m0/s1
Standard InChI Key: FGAVFOWVKGHPNN-LKEWCRSYSA-N
Associated Targets(non-human)
Human respirovirus 3 1674 Activities
Measles morbillivirus 693 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Vaccinia virus 4609 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Human alphaherpesvirus 2 4932 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 284.70 | Molecular Weight (Monoisotopic): 284.0676 | AlogP: 0.31 | #Rotatable Bonds: 2 |
| Polar Surface Area: 106.42 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.89 | CX Basic pKa: 5.34 | CX LogP: -0.06 | CX LogD: -0.06 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.73 | Np Likeness Score: 0.66 |
References
| 1. Cottam HB, Kazimierczuk Z, Geary S, McKernan PA, Revankar GR, Robins RK.. (1985) Synthesis and biological activity of certain 6-substituted and 2,6-disubstituted 2'-deoxytubercidins prepared via the stereospecific sodium salt glycosylation procedure., 28 (10): [PMID:2995666] [10.1021/jm00148a015] |
Source
Source(1):