| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2359888
Max Phase: Preclinical
Molecular Formula: C20H14BrF3N2O
Molecular Weight: 435.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(Br)cn2c(Cc3ccccc3C(F)(F)F)c(-c3ccco3)nc12
Standard InChI: InChI=1S/C20H14BrF3N2O/c1-12-9-14(21)11-26-16(18(25-19(12)26)17-7-4-8-27-17)10-13-5-2-3-6-15(13)20(22,23)24/h2-9,11H,10H2,1H3
Standard InChI Key: QENXVFYAEWCIPM-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: 435.24 | Molecular Weight (Monoisotopic): 434.0242 | AlogP: 6.27 | #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: 5.19 | CX LogP: 5.87 | CX LogD: 5.87 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.38 | Np Likeness Score: -1.48 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):