| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA213265
Max Phase: Preclinical
Molecular Formula: C17H15N5O
Molecular Weight: 305.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(=O)c2nc(C)n3nc(-c4ccccc4)cc3c12
Standard InChI: InChI=1S/C17H15N5O/c1-10-15-14-9-13(12-7-5-4-6-8-12)20-22(14)11(2)18-16(15)17(23)21(3)19-10/h4-9H,1-3H3
Standard InChI Key: OGJPWJTVAFMNRC-UHFFFAOYSA-N
Associated Targets(Human)
Phosphodiesterase 6 167 Activities
Phosphodiesterase 5A 5113 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 305.34 | Molecular Weight (Monoisotopic): 305.1277 | AlogP: 2.26 | #Rotatable Bonds: 1 |
| Polar Surface Area: 65.08 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.93 | CX LogD: 1.93 |
| Aromatic Rings: 4 | Heavy Atoms: 23 | QED Weighted: 0.54 | Np Likeness Score: -1.63 |
References
| 1. Giovannoni MP, Vergelli C, Biancalani C, Cesari N, Graziano A, Biagini P, Gracia J, Gavaldà A, Dal Piaz V.. (2006) Novel pyrazolopyrimidopyridazinones with potent and selective phosphodiesterase 5 (PDE5) inhibitory activity as potential agents for treatment of erectile dysfunction., 49 (17): [PMID:16913726] [10.1021/jm060265+] |
Source
Source(1):