| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3694412
Max Phase: Preclinical
Molecular Formula: C18H16BClN2O5
Molecular Weight: 386.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1cc(Cl)c(Oc2ccc3c(c2)COB3O)nc1OCCOC1CC1
Standard InChI: InChI=1S/C18H16BClN2O5/c20-16-8-11(9-21)17(25-6-5-24-13-1-2-13)22-18(16)27-14-3-4-15-12(7-14)10-26-19(15)23/h3-4,7-8,13,23H,1-2,5-6,10H2
Standard InChI Key: JXQLQPODTZFKHM-UHFFFAOYSA-N
Associated Targets(Human)
Phosphodiesterase 4A 1943 Activities
Phosphodiesterase 4B 2748 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: 386.60 | Molecular Weight (Monoisotopic): 386.0841 | AlogP: | #Rotatable Bonds: |
| Polar Surface Area: | Molecular Species: | HBA: | HBD: |
| #RO5 Violations: | HBA (Lipinski): | HBD (Lipinski): | #RO5 Violations (Lipinski): |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: | CX LogD: |
| Aromatic Rings: | Heavy Atoms: | QED Weighted: | Np Likeness Score: |
References
| 1. (2014) Boron-containing small molecules, |
| 2. (2016) Boron containing small molecules, |
Source
Source(1):