| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4277803
Max Phase: Preclinical
Molecular Formula: C24H28N2O5S
Molecular Weight: 456.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOCCS(=O)(=O)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21
Standard InChI: InChI=1S/C24H28N2O5S/c1-2-30-14-15-32(28,29)25(18-20-8-7-13-31-20)16-19(27)17-26-23-11-5-3-9-21(23)22-10-4-6-12-24(22)26/h3-13,19,27H,2,14-18H2,1H3
Standard InChI Key: AGZAZJWNRQCVDC-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: 456.56 | Molecular Weight (Monoisotopic): 456.1719 | AlogP: 3.62 | #Rotatable Bonds: 11 |
| Polar Surface Area: 84.91 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.67 | CX LogD: 2.67 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.35 | Np Likeness Score: -1.19 |
References
| 1. (2016) Carbazole-containing sulfonamides as cryptochrome modulators, |
Source
Source(1):