| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267170
Max Phase: Preclinical
Molecular Formula: C6H10N2O3S
Molecular Weight: 190.22
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)NC1=CC=CN(O)C1
Standard InChI: InChI=1S/C6H10N2O3S/c1-12(10,11)7-6-3-2-4-8(9)5-6/h2-4,7,9H,5H2,1H3
Standard InChI Key: ODWQVYBZPFQIPV-UHFFFAOYSA-N
Associated Targets(Human)
Matrix metalloproteinase 12 1130 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: 190.22 | Molecular Weight (Monoisotopic): 190.0412 | AlogP: -0.36 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.64 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.28 | CX Basic pKa: 0.99 | CX LogP: -1.91 | CX LogD: -1.91 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.62 | Np Likeness Score: -0.46 |
References
| 1. Arshad JZ, Hanif M.. (2022) Hydroxypyrone derivatives in drug discovery: from chelation therapy to rational design of metalloenzyme inhibitors., 13 (10.0): [PMID:36325396] [10.1039/d2md00175f] |
Source
Source(1):