| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA425250
Max Phase: Preclinical
Molecular Formula: C27H24F3N3O2
Molecular Weight: 479.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1ccccc1OCCN1CCCC1
Standard InChI: InChI=1S/C27H24F3N3O2/c28-27(29,30)19-8-7-9-20(18-19)31-25-21-10-1-2-11-22(21)33(26(25)34)23-12-3-4-13-24(23)35-17-16-32-14-5-6-15-32/h1-4,7-13,18H,5-6,14-17H2/b31-25+
Standard InChI Key: IXDXPZGUAOSJTI-QCKNELIISA-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: 479.50 | Molecular Weight (Monoisotopic): 479.1821 | AlogP: 5.98 | #Rotatable Bonds: 6 |
| Polar Surface Area: 45.14 | Molecular Species: BASE | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.72 | CX LogP: 5.78 | CX LogD: 4.44 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.44 | Np Likeness Score: -1.33 |
References
| 1. Konkel MJ, Packiarajan M, Chen H, Topiwala UP, Jimenez H, Talisman IJ, Coate H, Walker MW.. (2006) Amino substituted analogs of 1-phenyl-3-phenylimino-2-indolones with potent galanin Gal3 receptor binding affinity and improved solubility., 16 (15): [PMID:16730981] [10.1016/j.bmcl.2006.05.025] |
Source
Source(1):