| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4587738
Max Phase: Preclinical
Molecular Formula: C19H20ClN5O
Molecular Weight: 333.40
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cl.NCc1cc(NCc2cccc(C(=O)Nc3ccccc3)c2)ncn1
Standard InChI: InChI=1S/C19H19N5O.ClH/c20-11-17-10-18(23-13-22-17)21-12-14-5-4-6-15(9-14)19(25)24-16-7-2-1-3-8-16;/h1-10,13H,11-12,20H2,(H,24,25)(H,21,22,23);1H
Standard InChI Key: OKRBOGKKNBIOCH-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: 333.40 | Molecular Weight (Monoisotopic): 333.1590 | AlogP: 2.80 | #Rotatable Bonds: 6 |
| Polar Surface Area: 92.93 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.21 | CX LogP: 2.14 | CX LogD: 1.27 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.64 | Np Likeness Score: -1.52 |
References
| 1. (2018) Lysyl oxidase-like 2 inhibitors and uses thereof, |
Source
Source(1):