| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4590573
Max Phase: Preclinical
Molecular Formula: C7H8N4
Molecular Weight: 148.17
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: NCc1nc2ncccc2[nH]1
Standard InChI: InChI=1S/C7H8N4/c8-4-6-10-5-2-1-3-9-7(5)11-6/h1-3H,4,8H2,(H,9,10,11)
Standard InChI Key: XCTNDJAFNBCVOM-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: 148.17 | Molecular Weight (Monoisotopic): 148.0749 | AlogP: 0.42 | #Rotatable Bonds: 1 |
| Polar Surface Area: 67.59 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.86 | CX Basic pKa: 7.91 | CX LogP: -0.52 | CX LogD: -1.06 |
| Aromatic Rings: 2 | Heavy Atoms: 11 | QED Weighted: 0.62 | Np Likeness Score: -1.32 |
References
| 1. (2018) Lysyl oxidase-like 2 inhibitors and uses thereof, |
Source
Source(1):