| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4593375
Max Phase: Preclinical
Molecular Formula: C21H23ClN6O2
Molecular Weight: 390.45
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cl.NCc1cc(Oc2cccc(C(=O)N3CCN(c4ccccn4)CC3)c2)ncn1
Standard InChI: InChI=1S/C21H22N6O2.ClH/c22-14-17-13-20(25-15-24-17)29-18-5-3-4-16(12-18)21(28)27-10-8-26(9-11-27)19-6-1-2-7-23-19;/h1-7,12-13,15H,8-11,14,22H2;1H
Standard InChI Key: BYCLGMGOXXIFKK-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: 390.45 | Molecular Weight (Monoisotopic): 390.1804 | AlogP: 2.08 | #Rotatable Bonds: 5 |
| Polar Surface Area: 97.47 | 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: 8.08 | CX LogP: 1.76 | CX LogD: 0.97 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.71 | Np Likeness Score: -1.93 |
References
| 1. (2018) Lysyl oxidase-like 2 inhibitors and uses thereof, |
Source
Source(1):