| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2361231
Max Phase: Preclinical
Molecular Formula: C23H15F3N2O
Molecular Weight: 392.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: FC(F)(F)c1ccccc1Cc1c(-c2ccco2)nc2c3ccccc3ccn12
Standard InChI: InChI=1S/C23H15F3N2O/c24-23(25,26)18-9-4-2-7-16(18)14-19-21(20-10-5-13-29-20)27-22-17-8-3-1-6-15(17)11-12-28(19)22/h1-13H,14H2
Standard InChI Key: JGUBEXLRWYVZIG-UHFFFAOYSA-N
Associated Targets(Human)
Galanin receptor 3 273 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: 392.38 | Molecular Weight (Monoisotopic): 392.1136 | AlogP: 6.36 | #Rotatable Bonds: 3 |
| Polar Surface Area: 30.44 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.93 | CX LogP: 5.58 | CX LogD: 5.57 |
| Aromatic Rings: 5 | Heavy Atoms: 29 | QED Weighted: 0.36 | Np Likeness Score: -1.13 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):