| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3188772
Max Phase: Preclinical
Molecular Formula: C19H18F3N3O3S2
Molecular Weight: 343.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCCNC2.O=C(O)C(F)(F)F
Standard InChI: InChI=1S/C17H17N3OS2.C2HF3O2/c1-10(21)19-16-15(11-5-4-8-18-9-14(11)23-16)17-20-12-6-2-3-7-13(12)22-17;3-2(4,5)1(6)7/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,19,21);(H,6,7)
Standard InChI Key: WOIXORWSYBHURA-UHFFFAOYSA-N
Associated Targets(Human)
UHRF1 Tbio E3 ubiquitin-protein ligase UHRF1 (160 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: 343.48 | Molecular Weight (Monoisotopic): 343.0813 | AlogP: 4.02 | #Rotatable Bonds: 2 |
| Polar Surface Area: 54.02 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.58 | CX Basic pKa: 8.91 | CX LogP: 3.37 | CX LogD: 1.97 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.74 | Np Likeness Score: -1.92 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):