| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA592691
Max Phase: Preclinical
Molecular Formula: C23H25F3N2O7S2
Molecular Weight: 562.59
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)CCCC(=O)N1CCC(NS(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1
Standard InChI: InChI=1S/C23H25F3N2O7S2/c24-23(25,26)19-10-9-18(36(32,33)17-5-2-1-3-6-17)15-20(19)37(34,35)27-16-11-13-28(14-12-16)21(29)7-4-8-22(30)31/h1-3,5-6,9-10,15-16,27H,4,7-8,11-14H2,(H,30,31)
Standard InChI Key: YUFZSPIHLDEFRC-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: 562.59 | Molecular Weight (Monoisotopic): 562.1055 | AlogP: 3.06 | #Rotatable Bonds: 9 |
| Polar Surface Area: 137.92 | Molecular Species: ACID | HBA: 6 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 4.48 | CX Basic pKa: | CX LogP: 2.16 | CX LogD: -0.70 |
| Aromatic Rings: 2 | Heavy Atoms: 37 | QED Weighted: 0.48 | Np Likeness Score: -1.39 |
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):