| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3644002
Max Phase: Preclinical
Molecular Formula: C23H32N6O2
Molecular Weight: 424.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(Cc1cccc(-c2cnc(N3CCC(N4CCOCC4)CC3)nc2)c1)C(=O)CN
Standard InChI: InChI=1S/C23H32N6O2/c1-27(22(30)14-24)17-18-3-2-4-19(13-18)20-15-25-23(26-16-20)29-7-5-21(6-8-29)28-9-11-31-12-10-28/h2-4,13,15-16,21H,5-12,14,17,24H2,1H3
Standard InChI Key: JZLYMSBLQYUVNQ-UHFFFAOYSA-N
Associated Targets(Human)
Amine oxidase, copper containing 450 Activities
Associated Targets(non-human)
Amine oxidase, copper containing 122 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 424.55 | Molecular Weight (Monoisotopic): 424.2587 | AlogP: 1.36 | #Rotatable Bonds: 6 |
| Polar Surface Area: 87.82 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.19 | CX LogP: 0.54 | CX LogD: -0.53 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.75 | Np Likeness Score: -1.52 |
References
| 1. (2014) Glycine compound, |
Source
Source(1):