| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3754502
Max Phase: Preclinical
Molecular Formula: C22H21FN2O3S
Molecular Weight: 412.49
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CS(=O)(=O)N(CC(O)Cn1c2ccccc2c2ccccc21)c1ccccc1F
Standard InChI: InChI=1S/C22H21FN2O3S/c1-29(27,28)25(22-13-7-4-10-19(22)23)15-16(26)14-24-20-11-5-2-8-17(20)18-9-3-6-12-21(18)24/h2-13,16,26H,14-15H2,1H3
Standard InChI Key: FBEHMXAMJFAZAR-UHFFFAOYSA-N
Associated Targets(Human)
PER2 Tchem Period circadian protein homolog 2 (80 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: 412.49 | Molecular Weight (Monoisotopic): 412.1257 | AlogP: 3.76 | #Rotatable Bonds: 6 |
| Polar Surface Area: 62.54 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.23 | CX LogD: 3.23 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.52 | Np Likeness Score: -1.23 |
References
| 1. Humphries PS, Bersot R, Kincaid J, Mabery E, McCluskie K, Park T, Renner T, Riegler E, Steinfeld T, Turtle ED, Wei ZL, Willis E.. (2016) Carbazole-containing sulfonamides and sulfamides: Discovery of cryptochrome modulators as antidiabetic agents., 26 (3): [PMID:26778255] [10.1016/j.bmcl.2015.12.102] |
Source
Source(1):