| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA232642
Max Phase: Preclinical
Molecular Formula: C7H7NO2
Molecular Weight: 137.14
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): N-Hydroxyformanilide
Synonyms from Alternative Forms(1):
Canonical SMILES: O=CN(O)c1ccccc1
Standard InChI: InChI=1S/C7H7NO2/c9-6-8(10)7-4-2-1-3-5-7/h1-6,10H
Standard InChI Key: FWUDLKMCWUETIP-UHFFFAOYSA-N
Associated Targets(non-human)
Mandelate racemase 27 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 137.14 | Molecular Weight (Monoisotopic): 137.0477 | AlogP: 1.04 | #Rotatable Bonds: 2 |
| Polar Surface Area: 40.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.12 | CX Basic pKa: | CX LogP: 0.80 | CX LogD: 0.79 |
| Aromatic Rings: 1 | Heavy Atoms: 10 | QED Weighted: 0.38 | Np Likeness Score: -0.31 |
References
| 1. Bourque JR, Burley RK, Bearne SL.. (2007) Intermediate analogue inhibitors of mandelate racemase: N-Hydroxyformanilide and cupferron., 17 (1): [PMID:17055725] [10.1016/j.bmcl.2006.09.079] |
Source
Source(1):