| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3644007
Max Phase: Preclinical
Molecular Formula: C19H25N5O3
Molecular Weight: 371.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(Cc1cccc(-c2cnc(N3CCOC(CO)C3)nc2)c1)C(=O)CN
Standard InChI: InChI=1S/C19H25N5O3/c1-23(18(26)8-20)11-14-3-2-4-15(7-14)16-9-21-19(22-10-16)24-5-6-27-17(12-24)13-25/h2-4,7,9-10,17,25H,5-6,8,11-13,20H2,1H3
Standard InChI Key: UYJLLJSCJALZRB-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: 371.44 | Molecular Weight (Monoisotopic): 371.1957 | AlogP: 0.26 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.81 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.13 | CX LogP: -0.12 | CX LogD: -0.92 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.75 | Np Likeness Score: -1.21 |
References
| 1. (2014) Glycine compound, |
Source
Source(1):