| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5286640
Max Phase: Preclinical
Molecular Formula: C16H16ClN3S
Molecular Weight: 317.85
Associated Items:
Representations
Canonical SMILES: Cc1nc2ccc(Cl)nn2c1CSCCc1ccccc1
Standard InChI: InChI=1S/C16H16ClN3S/c1-12-14(20-16(18-12)8-7-15(17)19-20)11-21-10-9-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
Standard InChI Key: IVCZJHDPAMECQQ-UHFFFAOYSA-N
Associated Targets(non-human)
Cytomegalovirus 1023 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 317.85 | Molecular Weight (Monoisotopic): 317.0753 | AlogP: 4.17 | #Rotatable Bonds: 5 |
| Polar Surface Area: 30.19 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.85 | CX LogP: 4.15 | CX LogD: 4.15 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.66 | Np Likeness Score: -1.76 |
References
| 1. Garrido A, Vera G, Delaye PO, Enguehard-Gueiffier C.. (2021) Imidazo[1,2-b]pyridazine as privileged scaffold in medicinal chemistry: An extensive review., 226 [PMID:34607244] [10.1016/j.ejmech.2021.113867] |
Source
Source(1):