| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3671185
Max Phase: Preclinical
Molecular Formula: C30H36N6O2
Molecular Weight: 512.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN1CCN(C(=O)c2cc3c(cc2C)[nH]c(=O)c2cnn(C4CCN(C)CC4)c23)C[C@@H]1c1ccccc1
Standard InChI: InChI=1S/C30H36N6O2/c1-4-34-14-15-35(19-27(34)21-8-6-5-7-9-21)30(38)23-17-24-26(16-20(23)2)32-29(37)25-18-31-36(28(24)25)22-10-12-33(3)13-11-22/h5-9,16-18,22,27H,4,10-15,19H2,1-3H3,(H,32,37)/t27-/m1/s1
Standard InChI Key: DHLRFIVAMVEFBF-HHHXNRCGSA-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: 512.66 | Molecular Weight (Monoisotopic): 512.2900 | AlogP: 3.97 | #Rotatable Bonds: 4 |
| Polar Surface Area: 77.47 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.97 | CX LogP: 2.91 | CX LogD: 1.17 |
| Aromatic Rings: 4 | Heavy Atoms: 38 | QED Weighted: 0.45 | Np Likeness Score: -1.21 |
References
| 1. (2014) Pyrazoloquinoline compound, |
Source
Source(1):