| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA136367
Max Phase: Preclinical
Molecular Formula: C12H15N5O
Molecular Weight: 245.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1n[nH]c2c1C(=O)N(C)C1=N[C@@H]3CCC[C@@H]3N12
Standard InChI: InChI=1S/C12H15N5O/c1-6-9-10(15-14-6)17-8-5-3-4-7(8)13-12(17)16(2)11(9)18/h7-8H,3-5H2,1-2H3,(H,14,15)/t7-,8+/m1/s1
Standard InChI Key: UNUPSQIVBSVJLB-SFYZADRCSA-N
Associated Targets(non-human)
Phosphodiesterase 1 205 Activities
Phosphodiesterase 3B 112 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Phosphodiesterase 5A 420 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Rattus norvegicus 775804 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 245.29 | Molecular Weight (Monoisotopic): 245.1277 | AlogP: 0.90 | #Rotatable Bonds: 0 |
| Polar Surface Area: 64.59 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.97 | CX Basic pKa: 4.24 | CX LogP: 0.70 | CX LogD: 0.70 |
| Aromatic Rings: 1 | Heavy Atoms: 18 | QED Weighted: 0.74 | Np Likeness Score: -0.50 |
References
| 1. Xia Y, Chackalamannil S, Czarniecki M, Tsai H, Vaccaro H, Cleven R, Cook J, Fawzi A, Watkins R, Zhang H.. (1997) Synthesis and evaluation of polycyclic pyrazolo[3,4-d]pyrimidines as PDE1 and PDE5 cGMP phosphodiesterase inhibitors., 40 (26): [PMID:9435906] [10.1021/jm970495b] |
Source
Source(1):