| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3665294
Max Phase: Preclinical
Molecular Formula: C23H24N4O2
Molecular Weight: 388.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NC1CCCCC1)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
Standard InChI: InChI=1S/C23H24N4O2/c28-22(27-17-7-2-1-3-8-17)20-9-6-16-25-23(20)29-19-13-11-18(12-14-19)26-21-10-4-5-15-24-21/h4-6,9-17H,1-3,7-8H2,(H,24,26)(H,27,28)
Standard InChI Key: YIOSWPJPSTUCLY-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: 388.47 | Molecular Weight (Monoisotopic): 388.1899 | AlogP: 5.08 | #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: 4.54 | CX LogD: 4.52 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.62 | Np Likeness Score: -1.44 |
References
| 1. (2014) Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors, |
Source
Source(1):