Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0UT2X
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| Former ID |
DNC013972
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| Drug Name |
3-chloro-1-(4-hydroxyphenyl)propan-1-one
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| Synonyms |
3-chloro-1-(4-hydroxyphenyl)propan-1-one; 7182-38-9; 3-Chloro-4'-hydroxypropiophenone; CHEMBL500579; NSC46501; AC1Q5ECM; SCHEMBL2392675; AC1L650T; CTK5D5119; DTXSID20286561; QRXBKSZGQHXBDO-UHFFFAOYSA-N; MolPort-022-892-113; ZINC1678195; BDBM50255245; NSC-46501; AKOS022516648; KS-000009D4; SY028371; CS-11693; 1-Propanone,3-chloro-1-(4-hydroxyphenyl)-; MFCD18393259 (97%); 3-Chloro-4 inverted exclamation mark -hydroxypropiophenone
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C9H9ClO2
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| Canonical SMILES |
C1=CC(=CC=C1C(=O)CCCl)O
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| InChI |
1S/C9H9ClO2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-4,11H,5-6H2
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| InChIKey |
QRXBKSZGQHXBDO-UHFFFAOYSA-N
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| CAS Number |
CAS 7182-38-9
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA transaminase (ABAT) | Target Info | Inhibitor | [1] |
| BioCyc | GABA shunt | |||
| Valine degradation | ||||
| Beta-alanine degradation | ||||
| 4-aminobutyrate degradation | ||||
| KEGG Pathway | Alanine, aspartate and glutamate metabolism | |||
| Valine, leucine and isoleucine degradation | ||||
| beta-Alanine metabolism | ||||
| Propanoate metabolism | ||||
| Butanoate metabolism | ||||
| Metabolic pathways | ||||
| GABAergic synapse | ||||
| Panther Pathway | Aminobutyrate degradation | |||
| Pyrimidine Metabolism | ||||
| Gamma-aminobutyric acid synthesis | ||||
| Pathwhiz Pathway | Aspartate Metabolism | |||
| Glutamate Metabolism | ||||
| Beta-Alanine Metabolism | ||||
| Valine, Leucine and Isoleucine Degradation | ||||
| Propanoate Metabolism | ||||
| WikiPathways | GABA synthesis, release, reuptake and degradation | |||
| Alanine and aspartate metabolism | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Inactivation of GABA transaminase by 3-chloro-1-(4-hydroxyphenyl)propan-1-one. Bioorg Med Chem Lett. 2009 Feb 1;19(3):731-4. | |||
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