| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA591064
Max Phase: Preclinical
Molecular Formula: C25H23F3N2O6S2
Molecular Weight: 568.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1ccc(N2CCC(NS(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cc1
Standard InChI: InChI=1S/C25H23F3N2O6S2/c26-25(27,28)22-11-10-21(37(33,34)20-4-2-1-3-5-20)16-23(22)38(35,36)29-18-12-14-30(15-13-18)19-8-6-17(7-9-19)24(31)32/h1-11,16,18,29H,12-15H2,(H,31,32)
Standard InChI Key: ORINJDXPCRWIDA-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: 568.60 | Molecular Weight (Monoisotopic): 568.0950 | AlogP: 4.18 | #Rotatable Bonds: 7 |
| Polar Surface Area: 120.85 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.80 | CX Basic pKa: 3.18 | CX LogP: 4.01 | CX LogD: 1.55 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.44 | Np Likeness Score: -1.48 |
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):