| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3730995
Max Phase: Preclinical
Molecular Formula: C19H16N4OS
Molecular Weight: 348.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1ccc(-c2cnc3cnc(-c4ccsc4)cn23)cc1
Standard InChI: InChI=1S/C19H16N4OS/c1-22(2)19(24)14-5-3-13(4-6-14)17-9-21-18-10-20-16(11-23(17)18)15-7-8-25-12-15/h3-12H,1-2H3
Standard InChI Key: HKNQJXOVIYWJCX-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: 348.43 | Molecular Weight (Monoisotopic): 348.1045 | AlogP: 3.83 | #Rotatable Bonds: 3 |
| Polar Surface Area: 50.50 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.07 | CX LogP: 2.22 | CX LogD: 2.22 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.57 | Np Likeness Score: -1.99 |
References
| 1. (2014) Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, |
Source
Source(1):