| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4176350
Max Phase: Preclinical
Molecular Formula: C16H11ClO5S2
Molecular Weight: 382.85
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)c1sc2ccccc2c1OS(=O)(=O)c1ccc(Cl)cc1
Standard InChI: InChI=1S/C16H11ClO5S2/c1-21-16(18)15-14(12-4-2-3-5-13(12)23-15)22-24(19,20)11-8-6-10(17)7-9-11/h2-9H,1H3
Standard InChI Key: GGBKPMXSZAVPFE-UHFFFAOYSA-N
Associated Targets(non-human)
rRNA adenine N-6-methyltransferase 103 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 382.85 | Molecular Weight (Monoisotopic): 381.9736 | AlogP: 4.11 | #Rotatable Bonds: 4 |
| Polar Surface Area: 69.67 | Molecular Species: | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.81 | CX LogD: 4.81 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.50 | Np Likeness Score: -1.34 |
References
| 1. Foik IP, Tuszynska I, Feder M, Purta E, Stefaniak F, Bujnicki JM.. (2018) Novel inhibitors of the rRNA ErmC' methyltransferase to block resistance to macrolides, lincosamides, streptogramine B antibiotics., 146 [PMID:29396363] [10.1016/j.ejmech.2017.11.032] |
Source
Source(1):