| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5176367
Max Phase: Preclinical
Molecular Formula: C17H13BrO4
Molecular Weight: 361.19
Associated Items:
Representations
Canonical SMILES: Cc1c(Br)cc2c(=O)c3cccc(CC(=O)O)c3oc2c1C
Standard InChI: InChI=1S/C17H13BrO4/c1-8-9(2)16-12(7-13(8)18)15(21)11-5-3-4-10(6-14(19)20)17(11)22-16/h3-5,7H,6H2,1-2H3,(H,19,20)
Standard InChI Key: LZZNJBQHSUXYER-UHFFFAOYSA-N
Associated Targets(non-human)
Stimulator of interferon genes protein 255 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: 361.19 | Molecular Weight (Monoisotopic): 359.9997 | AlogP: 3.95 | #Rotatable Bonds: 2 |
| Polar Surface Area: 67.51 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.01 | CX Basic pKa: | CX LogP: 4.39 | CX LogD: 0.92 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.70 | Np Likeness Score: 0.36 |
References
| 1. Liu Y, Lu X, Qin N, Qiao Y, Xing S, Liu W, Feng F, Liu Z, Sun H.. (2021) STING, a promising target for small molecular immune modulator: A review., 211 [PMID:33360799] [10.1016/j.ejmech.2020.113113] |
Source
Source(1):