| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4750845
Max Phase: Preclinical
Molecular Formula: C14H10O5S
Molecular Weight: 290.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCOC(=O)c1cc2c(=O)oc3cc(O)ccc3c2s1
Standard InChI: InChI=1S/C14H10O5S/c1-2-18-14(17)11-6-9-12(20-11)8-4-3-7(15)5-10(8)19-13(9)16/h3-6,15H,2H2,1H3
Standard InChI Key: ZLRYSLHVRPSJMO-UHFFFAOYSA-N
Associated Targets(Human)
Janus Kinase (JAK) 173 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 290.30 | Molecular Weight (Monoisotopic): 290.0249 | AlogP: 2.89 | #Rotatable Bonds: 2 |
| Polar Surface Area: 76.74 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.21 | CX Basic pKa: | CX LogP: 2.89 | CX LogD: 2.49 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.58 | Np Likeness Score: -0.34 |
References
| 1. Wittine K,Antolović R,Jelić D,Bracanović S,Cetina M,Andjelkovic U,Wittine O,Kraljević Pavelić S,Vinter A. (2020) Thienochromene derivatives inhibit pSTAT1 and pSTAT5 signaling induced by cytokines., 30 (18.0): [PMID:32717616] [10.1016/j.bmcl.2020.127415] |
Source
Source(1):