| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4289310
Max Phase: Preclinical
Molecular Formula: C26H30N2O5S
Molecular Weight: 482.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=S(=O)(CC1CCCCO1)N(Cc1ccco1)CC(O)Cn1c2ccccc2c2ccccc21
Standard InChI: InChI=1S/C26H30N2O5S/c29-20(17-28-25-12-3-1-10-23(25)24-11-2-4-13-26(24)28)16-27(18-21-9-7-15-32-21)34(30,31)19-22-8-5-6-14-33-22/h1-4,7,9-13,15,20,22,29H,5-6,8,14,16-19H2
Standard InChI Key: ZNAUQWQKLLOHBM-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: 482.60 | Molecular Weight (Monoisotopic): 482.1875 | AlogP: 4.15 | #Rotatable Bonds: 9 |
| 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: 3.22 | CX LogD: 3.22 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.39 | Np Likeness Score: -0.94 |
References
| 1. (2016) Carbazole-containing sulfonamides as cryptochrome modulators, |
Source
Source(1):