| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3655077
Max Phase: Preclinical
Molecular Formula: C16H20N4O2
Molecular Weight: 300.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)C1c2[nH]cnc2CCN1C(=O)OCc1cccnc1
Standard InChI: InChI=1S/C16H20N4O2/c1-11(2)15-14-13(18-10-19-14)5-7-20(15)16(21)22-9-12-4-3-6-17-8-12/h3-4,6,8,10-11,15H,5,7,9H2,1-2H3,(H,18,19)
Standard InChI Key: BRLXXVFUSZYJNB-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: 300.36 | Molecular Weight (Monoisotopic): 300.1586 | AlogP: 2.70 | #Rotatable Bonds: 3 |
| Polar Surface Area: 71.11 | 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: 6.17 | CX LogP: 1.44 | CX LogD: 1.42 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.95 | Np Likeness Score: -0.81 |
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):