| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2131743
Max Phase: Preclinical
Molecular Formula: C25H23ClN4O4S
Molecular Weight: 511.00
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2cccc(C(=O)NCc3cccc(Cl)c3)c2)c(=O)n(-c2ccccc2)n1C
Standard InChI: InChI=1S/C25H23ClN4O4S/c1-17-23(25(32)30(29(17)2)21-11-4-3-5-12-21)28-35(33,34)22-13-7-9-19(15-22)24(31)27-16-18-8-6-10-20(26)14-18/h3-15,28H,16H2,1-2H3,(H,27,31)
Standard InChI Key: GXHBESKNHUHRIP-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: 511.00 | Molecular Weight (Monoisotopic): 510.1129 | AlogP: 3.87 | #Rotatable Bonds: 7 |
| Polar Surface Area: 102.20 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 9.53 | CX Basic pKa: | CX LogP: 3.17 | CX LogD: 3.16 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.39 | Np Likeness Score: -2.03 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):