| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2037354
Max Phase: Preclinical
Molecular Formula: C17H16N2O2S
Molecular Weight: 312.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(-n2sc(=O)n(Cc3cccc(C)c3)c2=O)cc1
Standard InChI: InChI=1S/C17H16N2O2S/c1-12-6-8-15(9-7-12)19-16(20)18(17(21)22-19)11-14-5-3-4-13(2)10-14/h3-10H,11H2,1-2H3
Standard InChI Key: BJERQIKZLIQVSI-UHFFFAOYSA-N
Associated Targets(Human)
Regulator of G-protein signaling 4 13867 Activities
Regulator of G-protein signaling 8 45 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 312.39 | Molecular Weight (Monoisotopic): 312.0932 | AlogP: 2.73 | #Rotatable Bonds: 3 |
| Polar Surface Area: 44.00 | Molecular Species: | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.76 | CX LogD: 4.76 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.75 | Np Likeness Score: -1.09 |
References
| 1. Turner EM, Blazer LL, Neubig RR, Husbands SM.. (2012) Small Molecule Inhibitors of Regulator of G Protein Signalling (RGS) Proteins., 3 (2): [PMID:22368763] [10.1021/ml200263y] |
Source
Source(1):