| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3665300
Max Phase: Preclinical
Molecular Formula: C23H25N3O2
Molecular Weight: 375.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C[C@@]1(O)CCC[C@@H](c2cccnc2Oc2ccc(Nc3ccccn3)cc2)C1
Standard InChI: InChI=1S/C23H25N3O2/c1-23(27)13-4-6-17(16-23)20-7-5-15-25-22(20)28-19-11-9-18(10-12-19)26-21-8-2-3-14-24-21/h2-3,5,7-12,14-15,17,27H,4,6,13,16H2,1H3,(H,24,26)/t17-,23-/m1/s1
Standard InChI Key: ODMSXEZLTJFHRC-UZUQRXQVSA-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: 375.47 | Molecular Weight (Monoisotopic): 375.1947 | AlogP: 5.42 | #Rotatable Bonds: 5 |
| Polar Surface Area: 67.27 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 6.05 | CX LogP: 4.68 | CX LogD: 4.66 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.62 | Np Likeness Score: -0.28 |
References
| 1. (2014) Aminopyridine and carboxypyridine compounds as phosphodiesterase 10 inhibitors, |
Source
Source(1):