| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3655078
Max Phase: Preclinical
Molecular Formula: C18H23N3O3
Molecular Weight: 329.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)C1c2[nH]cnc2CCN1C(=O)OCCOc1ccccc1
Standard InChI: InChI=1S/C18H23N3O3/c1-13(2)17-16-15(19-12-20-16)8-9-21(17)18(22)24-11-10-23-14-6-4-3-5-7-14/h3-7,12-13,17H,8-11H2,1-2H3,(H,19,20)
Standard InChI Key: VKNCAJJASMWUGD-UHFFFAOYSA-N
Associated Targets(Human)
Amine oxidase, copper containing 450 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: 329.40 | Molecular Weight (Monoisotopic): 329.1739 | AlogP: 3.18 | #Rotatable Bonds: 5 |
| Polar Surface Area: 67.45 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.22 | CX Basic pKa: 6.16 | CX LogP: 2.58 | CX LogD: 2.56 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.86 | Np Likeness Score: -0.73 |
References
| 1. (2015) Method of using 4,5,6,7-tetrahydroimidazo[4,5-C]pyridine compounds, |
| 2. (2013) Methods of using 4, 5, 6, 7-tetrahydroimidazo-[4,5-c]pyridine compounds, |
| 3. (2016) 4,5,6,7-tetrahyroimidazo[4,5-c]pyridine compounds, |
Source
Source(1):