| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3671180
Max Phase: Preclinical
Molecular Formula: C26H30F5N5O2
Molecular Weight: 539.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc2[nH]c(=O)c3cnn(C4CCC(F)(F)CC4)c3c2cc1C(=O)N1CCN(CCC(F)(F)F)[C@@H](C)C1
Standard InChI: InChI=1S/C26H30F5N5O2/c1-15-11-21-19(12-18(15)24(38)35-10-9-34(16(2)14-35)8-7-26(29,30)31)22-20(23(37)33-21)13-32-36(22)17-3-5-25(27,28)6-4-17/h11-13,16-17H,3-10,14H2,1-2H3,(H,33,37)/t16-/m0/s1
Standard InChI Key: OOALTPITXAHFOQ-INIZCTEOSA-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: 539.55 | Molecular Weight (Monoisotopic): 539.2320 | AlogP: 5.04 | #Rotatable Bonds: 4 |
| Polar Surface Area: 74.23 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 6.39 | CX LogP: 3.28 | CX LogD: 3.24 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.47 | Np Likeness Score: -1.24 |
References
| 1. (2014) Pyrazoloquinoline compound, |
Source
Source(1):