| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA592455
Max Phase: Preclinical
Molecular Formula: C25H22F3N3O6S3
Molecular Weight: 613.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)c1
Standard InChI: InChI=1S/C25H22F3N3O6S3/c26-25(27,28)23-10-9-21(38(32,33)20-6-2-1-3-7-20)16-24(23)39(34,35)30-19-11-13-31(14-12-19)40(36,37)22-8-4-5-18(15-22)17-29/h1-10,15-16,19,30H,11-14H2
Standard InChI Key: XFXVQPUPMFDVMJ-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: 613.66 | Molecular Weight (Monoisotopic): 613.0623 | AlogP: 3.54 | #Rotatable Bonds: 7 |
| Polar Surface Area: 141.48 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.43 | CX Basic pKa: | CX LogP: 3.35 | CX LogD: 3.32 |
| Aromatic Rings: 3 | Heavy Atoms: 40 | QED Weighted: 0.43 | Np Likeness Score: -1.89 |
References
| 1. Moore WJ, Kern JC, Bhat R, Bodine PV, Fukyama S, Krishnamurthy G, Magolda RL, Pitts K, Stauffer B, Trybulski EJ.. (2010) Modulation of Wnt signaling through inhibition of secreted frizzled-related protein I (sFRP-1) with N-substituted piperidinyl diphenylsulfonyl sulfonamides: part II., 18 (1): [PMID:19932972] [10.1016/j.bmc.2009.11.002] |
Source
Source(1):