| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3729965
Max Phase: Preclinical
Molecular Formula: C15H11N5S
Molecular Weight: 293.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ccc(-c2cn3c(-c4cccs4)cnc3cn2)cn1
Standard InChI: InChI=1S/C15H11N5S/c16-14-4-3-10(6-18-14)11-9-20-12(13-2-1-5-21-13)7-19-15(20)8-17-11/h1-9H,(H2,16,18)
Standard InChI Key: OSEJNEAQMWFGTP-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: 293.36 | Molecular Weight (Monoisotopic): 293.0735 | AlogP: 3.10 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.10 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.87 | CX LogP: 1.47 | CX LogD: 1.45 |
| Aromatic Rings: 4 | Heavy Atoms: 21 | QED Weighted: 0.62 | Np Likeness Score: -1.25 |
References
| 1. (2014) Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, |
Source
Source(1):