| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593862
Max Phase: Preclinical
Molecular Formula: C16H14N2O
Molecular Weight: 250.30
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NCc1cc2ccc(-c3ccccc3)cc2c(=O)[nH]1
Standard InChI: InChI=1S/C16H14N2O/c17-10-14-8-13-7-6-12(9-15(13)16(19)18-14)11-4-2-1-3-5-11/h1-9H,10,17H2,(H,18,19)
Standard InChI Key: FMHZEUQOODEFHV-UHFFFAOYSA-N
Associated Targets(Human)
Lysyl oxidase homolog 2 834 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 250.30 | Molecular Weight (Monoisotopic): 250.1106 | AlogP: 2.65 | #Rotatable Bonds: 2 |
| Polar Surface Area: 58.88 | Molecular Species: BASE | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.20 | CX Basic pKa: 8.57 | CX LogP: 2.02 | CX LogD: 0.83 |
| Aromatic Rings: 3 | Heavy Atoms: 19 | QED Weighted: 0.73 | Np Likeness Score: -0.20 |
References
| 1. (2018) Lysyl oxidase-like 2 inhibitors and uses thereof, |
Source
Source(1):