| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2037371
Max Phase: Preclinical
Molecular Formula: C18H15NO2
Molecular Weight: 277.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(C2=CC(=O)N(Cc3ccccc3)C2=O)cc1
Standard InChI: InChI=1S/C18H15NO2/c1-13-7-9-15(10-8-13)16-11-17(20)19(18(16)21)12-14-5-3-2-4-6-14/h2-11H,12H2,1H3
Standard InChI Key: PLQCDKKQKRJJDK-UHFFFAOYSA-N
Associated Targets(Human)
RGS4 Tchem Regulator of G-protein signaling 4 (13867 Activities)
RGS8 Tchem Regulator of G-protein signaling 8 (45 Activities)
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 277.32 | Molecular Weight (Monoisotopic): 277.1103 | AlogP: 2.95 | #Rotatable Bonds: 3 |
| Polar Surface Area: 37.38 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.49 | CX LogD: 3.49 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.81 | Np Likeness Score: -0.36 |
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] |
| 2. (2014) Small molecule inhibitors of RGS proteins, |
Source
Source(2):