| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3665295
Max Phase: Preclinical
Molecular Formula: C24H26N4O2
Molecular Weight: 402.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCCC(NC(=O)c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
Standard InChI: InChI=1S/C24H26N4O2/c1-17-6-4-7-19(16-17)28-23(29)21-8-5-15-26-24(21)30-20-12-10-18(11-13-20)27-22-9-2-3-14-25-22/h2-3,5,8-15,17,19H,4,6-7,16H2,1H3,(H,25,27)(H,28,29)
Standard InChI Key: JUQNLOMOUWTRQC-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: 402.50 | Molecular Weight (Monoisotopic): 402.2056 | AlogP: 5.32 | #Rotatable Bonds: 6 |
| Polar Surface Area: 76.14 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 13.06 | CX Basic pKa: 6.05 | CX LogP: 4.83 | CX LogD: 4.81 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.58 | Np Likeness Score: -1.30 |
References
| 1. (2014) Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors, |
Source
Source(1):