| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3732585
Max Phase: Preclinical
Molecular Formula: C14H9N3S2
Molecular Weight: 283.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1csc(-c2cn3c(-c4cccs4)cnc3cn2)c1
Standard InChI: InChI=1S/C14H9N3S2/c1-3-12(18-5-1)10-9-17-11(13-4-2-6-19-13)7-16-14(17)8-15-10/h1-9H
Standard InChI Key: FTRPZMMJTUZSDQ-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: 283.38 | Molecular Weight (Monoisotopic): 283.0238 | AlogP: 4.19 | #Rotatable Bonds: 2 |
| Polar Surface Area: 30.19 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 2.49 | CX LogP: 2.70 | CX LogD: 2.70 |
| Aromatic Rings: 4 | Heavy Atoms: 19 | QED Weighted: 0.55 | Np Likeness Score: -1.65 |
References
| 1. (2014) Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, |
Source
Source(1):