| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA473307
Max Phase: Preclinical
Molecular Formula: C20H19NO4S2
Molecular Weight: 401.51
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(S(=O)(=O)c2ccccc2)cc1S(=O)(=O)NCc1ccccc1
Standard InChI: InChI=1S/C20H19NO4S2/c1-16-12-13-19(26(22,23)18-10-6-3-7-11-18)14-20(16)27(24,25)21-15-17-8-4-2-5-9-17/h2-14,21H,15H2,1H3
Standard InChI Key: NNFDRBYUPDBCKH-UHFFFAOYSA-N
Associated Targets(Human)
Secreted frizzled-related protein 1 240 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: 401.51 | Molecular Weight (Monoisotopic): 401.0756 | AlogP: 3.31 | #Rotatable Bonds: 6 |
| Polar Surface Area: 80.31 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.90 | CX Basic pKa: | CX LogP: 4.00 | CX LogD: 3.99 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.69 | Np Likeness Score: -1.60 |
References
| 1. Gopalsamy A, Shi M, Stauffer B, Bahat R, Billiard J, Ponce-de-Leon H, Seestaller-Wehr L, Fukayama S, Mangine A, Moran R, Krishnamurthy G, Bodine P.. (2008) Identification of diarylsulfone sulfonamides as secreted frizzled related protein-1 (sFRP-1) inhibitors., 51 (24): [PMID:19053830] [10.1021/jm801069w] |
Source
Source(1):