| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3892902
Max Phase: Preclinical
Molecular Formula: C25H34F2N6O
Molecular Weight: 472.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)Nc1nc2c(nc1N1CCN(Cc3ccc(F)cc3F)CC1)CCN(C(=O)C(C)C)C2
Standard InChI: InChI=1S/C25H34F2N6O/c1-16(2)25(34)33-8-7-21-22(15-33)29-23(28-17(3)4)24(30-21)32-11-9-31(10-12-32)14-18-5-6-19(26)13-20(18)27/h5-6,13,16-17H,7-12,14-15H2,1-4H3,(H,28,29)
Standard InChI Key: IWFKEJLLLIHOQD-UHFFFAOYSA-N
Associated Targets(Human)
GPR6 Tchem G-protein coupled receptor 6 (1468 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: 472.58 | Molecular Weight (Monoisotopic): 472.2762 | AlogP: 3.44 | #Rotatable Bonds: 6 |
| Polar Surface Area: 64.60 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.97 | CX LogP: 3.50 | CX LogD: 3.49 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.70 | Np Likeness Score: -1.75 |
References
| 1. (2015) Substituted pyrido[3,4-b]pyrazines as GPR6 modulators, |
| 2. (2018) Tetrahydropyridopyrazines modulators of gpr6, |
| 3. (2016) Tetrahydropyridopyrazines modulators of gpr6, |
Source
Source(2):