| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732544
Max Phase: Preclinical
Molecular Formula: C19H17N3OS
Molecular Weight: 335.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Oc1cccc(-c2cn3c(-c4cccs4)cnc3cn2)c1
Standard InChI: InChI=1S/C19H17N3OS/c1-13(2)23-15-6-3-5-14(9-15)16-12-22-17(18-7-4-8-24-18)10-21-19(22)11-20-16/h3-13H,1-2H3
Standard InChI Key: SUFFXSGCMBAWFP-UHFFFAOYSA-N
Associated Targets(non-human)
Beta-TC6 562 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: 335.43 | Molecular Weight (Monoisotopic): 335.1092 | AlogP: 4.91 | #Rotatable Bonds: 4 |
| Polar Surface Area: 39.42 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.67 | CX LogP: 3.54 | CX LogD: 3.54 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.53 | Np Likeness Score: -1.78 |
References
| 1. (2014) Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, |
Source
Source(1):