| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3752737
Max Phase: Preclinical
Molecular Formula: C18H21N3O3S
Molecular Weight: 359.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1CCN(CC(O)Cn2c3ccccc3c3ccccc32)S1(=O)=O
Standard InChI: InChI=1S/C18H21N3O3S/c1-19-10-11-20(25(19,23)24)12-14(22)13-21-17-8-4-2-6-15(17)16-7-3-5-9-18(16)21/h2-9,14,22H,10-13H2,1H3
Standard InChI Key: JOBQDTWJDKUTKJ-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: 359.45 | Molecular Weight (Monoisotopic): 359.1304 | AlogP: 1.65 | #Rotatable Bonds: 4 |
| Polar Surface Area: 65.78 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.24 | CX LogD: 1.24 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.77 | Np Likeness Score: -0.55 |
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):