| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4587390
Max Phase: Preclinical
Molecular Formula: C16H19ClN4O3
Molecular Weight: 314.35
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cl.NCc1cc(Oc2cccc3c2CCC(=O)N3CCO)ncn1
Standard InChI: InChI=1S/C16H18N4O3.ClH/c17-9-11-8-15(19-10-18-11)23-14-3-1-2-13-12(14)4-5-16(22)20(13)6-7-21;/h1-3,8,10,21H,4-7,9,17H2;1H
Standard InChI Key: ITVBTHIVWVHMHQ-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: 314.35 | Molecular Weight (Monoisotopic): 314.1379 | AlogP: 1.00 | #Rotatable Bonds: 5 |
| Polar Surface Area: 101.57 | 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: 8.07 | CX LogP: 0.07 | CX LogD: -0.68 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.85 | Np Likeness Score: -0.84 |
References
| 1. (2018) Lysyl oxidase-like 2 inhibitors and uses thereof, |
Source
Source(1):