| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3392354
Max Phase: Preclinical
Molecular Formula: C26H25ClN2O3S
Molecular Weight: 481.02
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C1CCN(C(Cc2ccccc2)C(=O)NCc2ccc(Cl)cc2)S(=O)(=O)c2ccccc21
Standard InChI: InChI=1S/C26H25ClN2O3S/c1-19-15-16-29(33(31,32)25-10-6-5-9-23(19)25)24(17-20-7-3-2-4-8-20)26(30)28-18-21-11-13-22(27)14-12-21/h2-14,24H,1,15-18H2,(H,28,30)
Standard InChI Key: NDJFUUJOGXXCTD-UHFFFAOYSA-N
Associated Targets(non-human)
Ferritin light chain 43324 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: 481.02 | Molecular Weight (Monoisotopic): 480.1274 | AlogP: 4.68 | #Rotatable Bonds: 6 |
| Polar Surface Area: 66.48 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.80 | CX Basic pKa: | CX LogP: 5.04 | CX LogD: 5.04 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.56 | Np Likeness Score: -0.75 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):