| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2362026
Max Phase: Preclinical
Molecular Formula: C19H17Cl3N2O4S
Molecular Weight: 475.78
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C(=O)NS(=O)(=O)c2ccc(Cl)cc2)CCN1C(=O)Cc1ccc(Cl)cc1Cl
Standard InChI: InChI=1S/C19H17Cl3N2O4S/c1-19(18(26)23-29(27,28)15-6-4-13(20)5-7-15)8-9-24(19)17(25)10-12-2-3-14(21)11-16(12)22/h2-7,11H,8-10H2,1H3,(H,23,26)
Standard InChI Key: RZFPPEHDLUUKBG-UHFFFAOYSA-N
Associated Targets(Human)
Fibroblast growth factor 22 464 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: 475.78 | Molecular Weight (Monoisotopic): 473.9975 | AlogP: 3.69 | #Rotatable Bonds: 5 |
| Polar Surface Area: 83.55 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.99 | CX Basic pKa: | CX LogP: 3.87 | CX LogD: 2.92 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.71 | Np Likeness Score: -1.03 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):