| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA209480
Max Phase: Preclinical
Molecular Formula: C15H9F3N2O
Molecular Weight: 290.24
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1Nc2ccccc2/C1=N\c1cccc(C(F)(F)F)c1
Standard InChI: InChI=1S/C15H9F3N2O/c16-15(17,18)9-4-3-5-10(8-9)19-13-11-6-1-2-7-12(11)20-14(13)21/h1-8H,(H,19,20,21)
Standard InChI Key: BNSKFCOAYKYHCS-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: 290.24 | Molecular Weight (Monoisotopic): 290.0667 | AlogP: 3.78 | #Rotatable Bonds: 1 |
| Polar Surface Area: 41.46 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.06 | CX Basic pKa: | CX LogP: 3.99 | CX LogD: 3.99 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.85 | Np Likeness Score: -1.21 |
References
| 1. Konkel MJ, Lagu B, Boteju LW, Jimenez H, Noble S, Walker MW, Chandrasena G, Blackburn TP, Nikam SS, Wright JL, Kornberg BE, Gregory T, Pugsley TA, Akunne H, Zoski K, Wise LD.. (2006) 3-arylimino-2-indolones are potent and selective galanin GAL3 receptor antagonists., 49 (13): [PMID:16789730] [10.1021/jm060001n] |
Source
Source(1):