| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4277654
Max Phase: Preclinical
Molecular Formula: C23H25FN2O4S
Molecular Weight: 444.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(CCCF)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21
Standard InChI: InChI=1S/C23H25FN2O4S/c24-12-6-14-31(28,29)25(17-19-7-5-13-30-19)15-18(27)16-26-22-10-3-1-8-20(22)21-9-2-4-11-23(21)26/h1-5,7-11,13,18,27H,6,12,14-17H2
Standard InChI Key: HTTLUFMKPGOWDV-UHFFFAOYSA-N
Associated Targets(Human)
CRY2 Tbio Cry1/Cry2 (247 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: 444.53 | Molecular Weight (Monoisotopic): 444.1519 | AlogP: 3.94 | #Rotatable Bonds: 10 |
| Polar Surface Area: 75.68 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.62 | CX LogD: 2.62 |
| Aromatic Rings: 4 | Heavy Atoms: 31 | QED Weighted: 0.40 | Np Likeness Score: -1.20 |
References
| 1. (2016) Carbazole-containing sulfonamides as cryptochrome modulators, |
Source
Source(1):