| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA202611
Max Phase: Preclinical
Molecular Formula: C7H7NO2
Molecular Weight: 137.14
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): 4-Hydroxybenzaldehyde Oxime
Synonyms from Alternative Forms(1):
Canonical SMILES: O/N=C/c1ccc(O)cc1
Standard InChI: InChI=1S/C7H7NO2/c9-7-3-1-6(2-4-7)5-8-10/h1-5,9-10H/b8-5+
Standard InChI Key: LJEARAFLOCEYHX-VMPITWQZSA-N
Associated Targets(Human)
Succinate semialdehyde dehydrogenase 19 Activities
Gamma-amino-N-butyrate transaminase 140 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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: 1.20 | #Rotatable Bonds: 1 |
| Polar Surface Area: 52.82 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.57 | CX Basic pKa: 2.33 | CX LogP: 1.39 | CX LogD: 1.17 |
| Aromatic Rings: 1 | Heavy Atoms: 10 | QED Weighted: 0.35 | Np Likeness Score: -0.05 |
References
| 1. Tao YH, Yuan Z, Tang XQ, Xu HB, Yang XL.. (2006) Inhibition of GABA shunt enzymes' activity by 4-hydroxybenzaldehyde derivatives., 16 (3): [PMID:16290145] [10.1016/j.bmcl.2005.10.040] |
Source
Source(1):