| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5206893
Max Phase: Preclinical
Molecular Formula: C13H10ClN3O
Molecular Weight: 259.70
Associated Items:
Representations
Canonical SMILES: COc1cc2c(-n3ccnc3)ccnc2cc1Cl
Standard InChI: InChI=1S/C13H10ClN3O/c1-18-13-6-9-11(7-10(13)14)16-3-2-12(9)17-5-4-15-8-17/h2-8H,1H3
Standard InChI Key: RGOXVKQTERWXMC-UHFFFAOYSA-N
Associated Targets(Human)
Cyclic GMP-AMP synthase 693 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: 259.70 | Molecular Weight (Monoisotopic): 259.0512 | AlogP: 3.08 | #Rotatable Bonds: 2 |
| Polar Surface Area: 39.94 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 6.44 | CX LogP: 2.34 | CX LogD: 2.30 |
| Aromatic Rings: 3 | Heavy Atoms: 18 | QED Weighted: 0.71 | Np Likeness Score: -1.56 |
References
| 1. Wang X, Liu Y, Han X, Zou G, Zhu W, Shen H, Liu H.. (2021) Small molecule approaches to treat autoimmune and inflammatory diseases (Part II): Nucleic acid sensing antagonists and inhibitors., 44 [PMID:33984476] [10.1016/j.bmcl.2021.128101] |
Source
Source(1):