| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2005605
Max Phase: Preclinical
Molecular Formula: C22H26N4O6S
Molecular Weight: 474.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)CN2C(=O)NC(C)(C)C2=O)c1
Standard InChI: InChI=1S/C22H26N4O6S/c1-5-26(15-9-7-6-8-10-15)33(30,31)16-11-12-18(32-4)17(13-16)23-19(27)14-25-20(28)22(2,3)24-21(25)29/h6-13H,5,14H2,1-4H3,(H,23,27)(H,24,29)
Standard InChI Key: GIBSONLCCYTYLS-UHFFFAOYSA-N
Associated Targets(Human)
DNA dC->dU-editing enzyme APOBEC-3F 14861 Activities
Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 474.54 | Molecular Weight (Monoisotopic): 474.1573 | AlogP: 2.18 | #Rotatable Bonds: 8 |
| Polar Surface Area: 125.12 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.57 | CX Basic pKa: | CX LogP: 1.60 | CX LogD: 1.60 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.57 | Np Likeness Score: -2.01 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):