| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985042
Max Phase: Preclinical
Molecular Formula: C24H18N4
Molecular Weight: 362.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1
Standard InChI: InChI=1S/C24H18N4/c1-4-10-18(11-5-1)21-16-28(20-14-8-3-9-15-20)24-22(21)23(25-17-26-24)27-19-12-6-2-7-13-19/h1-17H,(H,25,26,27)
Standard InChI Key: VBOCODNKKAPBAW-UHFFFAOYSA-N
Associated Targets(Human)
Phosphodiesterase 11A 449 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: 362.44 | Molecular Weight (Monoisotopic): 362.1531 | AlogP: 5.83 | #Rotatable Bonds: 4 |
| Polar Surface Area: 42.74 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.62 | CX LogP: 6.08 | CX LogD: 6.08 |
| Aromatic Rings: 5 | Heavy Atoms: 28 | QED Weighted: 0.44 | Np Likeness Score: -1.16 |
References
| 1. (2015) Inhibitors of phosphodiesterase 11 (PDE11), |
Source
Source(1):