| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4589351
Max Phase: Preclinical
Molecular Formula: C20H17N5O2
Molecular Weight: 359.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NCc1cc(Oc2cccc(C(=O)Nc3ccccc3)c2)n2ccnc2n1
Standard InChI: InChI=1S/C20H17N5O2/c21-13-16-12-18(25-10-9-22-20(25)24-16)27-17-8-4-5-14(11-17)19(26)23-15-6-2-1-3-7-15/h1-12H,13,21H2,(H,23,26)
Standard InChI Key: MAXAZEQPVLQWQR-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: 359.39 | Molecular Weight (Monoisotopic): 359.1382 | AlogP: 3.23 | #Rotatable Bonds: 5 |
| Polar Surface Area: 94.54 | 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: 8.06 | CX LogP: 1.70 | CX LogD: 0.95 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.57 | Np Likeness Score: -1.67 |
References
| 1. (2018) Lysyl oxidase-like 2 inhibitors and uses thereof, |
Source
Source(1):