| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644009
Max Phase: Preclinical
Molecular Formula: C19H25N5O2
Molecular Weight: 355.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(Cc1cccc(-c2cnc(N3CCC(O)CC3)nc2)c1)C(=O)CN
Standard InChI: InChI=1S/C19H25N5O2/c1-23(18(26)10-20)13-14-3-2-4-15(9-14)16-11-21-19(22-12-16)24-7-5-17(25)6-8-24/h2-4,9,11-12,17,25H,5-8,10,13,20H2,1H3
Standard InChI Key: VBOFEELDRIJUQG-UHFFFAOYSA-N
Associated Targets(Human)
Amine oxidase, copper containing 450 Activities
Associated Targets(non-human)
Amine oxidase, copper containing 122 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: 355.44 | Molecular Weight (Monoisotopic): 355.2008 | AlogP: 1.02 | #Rotatable Bonds: 5 |
| Polar Surface Area: 95.58 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.13 | CX LogP: 0.05 | CX LogD: -0.76 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.83 | Np Likeness Score: -1.21 |
References
| 1. (2014) Glycine compound, |
Source
Source(1):