| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA377328
Max Phase: Preclinical
Molecular Formula: C29H30F3N3O2
Molecular Weight: 509.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)CCCCOc1ccc(N2C(=O)/C(=N/c3cccc(C(F)(F)F)c3)c3ccccc32)cc1
Standard InChI: InChI=1S/C29H30F3N3O2/c1-3-34(4-2)18-7-8-19-37-24-16-14-23(15-17-24)35-26-13-6-5-12-25(26)27(28(35)36)33-22-11-9-10-21(20-22)29(30,31)32/h5-6,9-17,20H,3-4,7-8,18-19H2,1-2H3/b33-27+
Standard InChI Key: CCKSFWNZIUGOIE-MUGXBBEHSA-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: 509.57 | Molecular Weight (Monoisotopic): 509.2290 | AlogP: 7.01 | #Rotatable Bonds: 10 |
| Polar Surface Area: 45.14 | Molecular Species: BASE | HBA: 4 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 10.32 | CX LogP: 6.67 | CX LogD: 3.84 |
| Aromatic Rings: 3 | Heavy Atoms: 37 | QED Weighted: 0.28 | Np Likeness Score: -1.39 |
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):