| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3671198
Max Phase: Preclinical
Molecular Formula: C21H16N4O2S
Molecular Weight: 388.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CSc1nn(-c2ccccc2)c2cc(C(=O)N3ONc4ccccc43)ccc12
Standard InChI: InChI=1S/C21H16N4O2S/c1-28-20-16-12-11-14(13-19(16)24(22-20)15-7-3-2-4-8-15)21(26)25-18-10-6-5-9-17(18)23-27-25/h2-13,23H,1H3
Standard InChI Key: AOSAVWYXUWAWOF-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: 388.45 | Molecular Weight (Monoisotopic): 388.0994 | AlogP: 4.67 | #Rotatable Bonds: 3 |
| Polar Surface Area: 59.39 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.54 | CX Basic pKa: 2.62 | CX LogP: 5.14 | CX LogD: 5.14 |
| Aromatic Rings: 4 | Heavy Atoms: 28 | QED Weighted: 0.52 | Np Likeness Score: -1.05 |
References
| 1. (2014) Pyrazoloquinoline compound, |
Source
Source(1):