| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2357531
Max Phase: Preclinical
Molecular Formula: C22H22Cl2N4
Molecular Weight: 413.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1cccc(CN2CCN(c3ncc(Cc4ccccc4)cn3)CC2)c1Cl
Standard InChI: InChI=1S/C22H22Cl2N4/c23-20-8-4-7-19(21(20)24)16-27-9-11-28(12-10-27)22-25-14-18(15-26-22)13-17-5-2-1-3-6-17/h1-8,14-15H,9-13,16H2
Standard InChI Key: KLCNGFXYNVYAEJ-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: 413.35 | Molecular Weight (Monoisotopic): 412.1222 | AlogP: 4.70 | #Rotatable Bonds: 5 |
| Polar Surface Area: 32.26 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.92 | CX LogP: 5.71 | CX LogD: 5.69 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.61 | Np Likeness Score: -1.46 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):