| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270691
Max Phase: Preclinical
Molecular Formula: C10H14N2O2
Molecular Weight: 194.23
Associated Items:
Representations
Canonical SMILES: CC(C)NC(=O)c1cc(N)ccc1O
Standard InChI: InChI=1S/C10H14N2O2/c1-6(2)12-10(14)8-5-7(11)3-4-9(8)13/h3-6,13H,11H2,1-2H3,(H,12,14)
Standard InChI Key: RDXNAXNSFWHSCK-UHFFFAOYSA-N
Associated Targets(Human)
Arachidonate 5-lipoxygenase 6568 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 194.23 | Molecular Weight (Monoisotopic): 194.1055 | AlogP: 1.11 | #Rotatable Bonds: 2 |
| Polar Surface Area: 75.35 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.06 | CX Basic pKa: 4.42 | CX LogP: 1.34 | CX LogD: 1.33 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.49 | Np Likeness Score: -0.71 |
References
| 1. Meshram MA, Bhise UO, Makhal PN, Kaki VR.. (2021) Synthetically-tailored and nature-derived dual COX-2/5-LOX inhibitors: Structural aspects and SAR., 225 [PMID:34479036] [10.1016/j.ejmech.2021.113804] |
Source
Source(1):