| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3671186
Max Phase: Preclinical
Molecular Formula: C26H32N4O4
Molecular Weight: 464.57
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc2[nH]c(=O)c3cnn(C4CCOCC4)c3c2cc1C(=O)N1CCC(COC2CC2)CC1
Standard InChI: InChI=1S/C26H32N4O4/c1-16-12-23-21(24-22(25(31)28-23)14-27-30(24)18-6-10-33-11-7-18)13-20(16)26(32)29-8-4-17(5-9-29)15-34-19-2-3-19/h12-14,17-19H,2-11,15H2,1H3,(H,28,31)
Standard InChI Key: PAVKCQNKXOGYRR-UHFFFAOYSA-N
Associated Targets(non-human)
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A 101 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: 464.57 | Molecular Weight (Monoisotopic): 464.2424 | AlogP: 3.57 | #Rotatable Bonds: 5 |
| Polar Surface Area: 89.45 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.75 | CX LogD: 1.75 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.62 | Np Likeness Score: -1.17 |
References
| 1. (2014) Pyrazoloquinoline compound, |
Source
Source(1):