| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3665293
Max Phase: Preclinical
Molecular Formula: C24H24N6O2
Molecular Weight: 428.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1n[nH]c(C)c1CCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
Standard InChI: InChI=1S/C24H24N6O2/c1-16-20(17(2)30-29-16)12-15-26-23(31)21-6-5-14-27-24(21)32-19-10-8-18(9-11-19)28-22-7-3-4-13-25-22/h3-11,13-14H,12,15H2,1-2H3,(H,25,28)(H,26,31)(H,29,30)
Standard InChI Key: FZAGKLHFXMIKMS-UHFFFAOYSA-N
Associated Targets(non-human)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A 1396 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: 428.50 | Molecular Weight (Monoisotopic): 428.1961 | AlogP: 4.32 | #Rotatable Bonds: 8 |
| Polar Surface Area: 104.82 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.95 | CX Basic pKa: 6.06 | CX LogP: 3.39 | CX LogD: 3.37 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.39 | Np Likeness Score: -1.74 |
References
| 1. (2014) Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors, |
Source
Source(1):