| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA211031
Max Phase: Preclinical
Molecular Formula: C28H26F3N3O2
Molecular Weight: 493.53
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1/C(=N/c2cccc(C(F)(F)F)c2)c2ccccc2N1c1cccc(OCCCN2CCCC2)c1
Standard InChI: InChI=1S/C28H26F3N3O2/c29-28(30,31)20-8-5-9-21(18-20)32-26-24-12-1-2-13-25(24)34(27(26)35)22-10-6-11-23(19-22)36-17-7-16-33-14-3-4-15-33/h1-2,5-6,8-13,18-19H,3-4,7,14-17H2/b32-26+
Standard InChI Key: NUADTUZMPQSMJY-HMZBKAONSA-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: 493.53 | Molecular Weight (Monoisotopic): 493.1977 | AlogP: 6.37 | #Rotatable Bonds: 7 |
| 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: 9.35 | CX LogP: 5.84 | CX LogD: 3.89 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.36 | Np Likeness Score: -1.57 |
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):