| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4592316
Max Phase: Preclinical
Molecular Formula: C18H24N6O3
Molecular Weight: 312.38
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CC(=O)O.NCc1cc(N2CCN(C(=O)Nc3ccccc3)CC2)ncn1
Standard InChI: InChI=1S/C16H20N6O.C2H4O2/c17-11-14-10-15(19-12-18-14)21-6-8-22(9-7-21)16(23)20-13-4-2-1-3-5-13;1-2(3)4/h1-5,10,12H,6-9,11,17H2,(H,20,23);1H3,(H,3,4)
Standard InChI Key: IDBNOZKGWUFDSQ-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: 312.38 | Molecular Weight (Monoisotopic): 312.1699 | AlogP: 1.29 | #Rotatable Bonds: 3 |
| Polar Surface Area: 87.38 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.41 | CX Basic pKa: 8.20 | CX LogP: 0.94 | CX LogD: 0.08 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.89 | Np Likeness Score: -2.02 |
References
| 1. (2018) Lysyl oxidase-like 2 inhibitors and uses thereof, |
Source
Source(1):