| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2138701
Max Phase: Preclinical
Molecular Formula: C14H14Cl2N2O3S
Molecular Weight: 361.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NCc1cc(Cl)cc(Cl)c1)c1csc(COCCO)n1
Standard InChI: InChI=1S/C14H14Cl2N2O3S/c15-10-3-9(4-11(16)5-10)6-17-14(20)12-8-22-13(18-12)7-21-2-1-19/h3-5,8,19H,1-2,6-7H2,(H,17,20)
Standard InChI Key: XBBFABDVYRUNBH-UHFFFAOYSA-N
Associated Targets(non-human)
Methionyl-tRNA synthetase, putative 498 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: 361.25 | Molecular Weight (Monoisotopic): 360.0102 | AlogP: 2.89 | #Rotatable Bonds: 7 |
| Polar Surface Area: 71.45 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.28 | CX LogD: 2.28 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.74 | Np Likeness Score: -1.78 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):