Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0SP2O
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| Former ID |
DNC005848
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| Drug Name |
1H-Indole-2,3-dione
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| Synonyms |
Isatin; 91-56-5; Indoline-2,3-dione; 2,3-Indolinedione; INDOLE-2,3-DIONE; 2,3-Dioxoindoline; Isatine; Pseudoisatin; Isatic acid lactam; Tribulin; Isotin; 2,3-Diketoindoline; Isatinic acid anhydride; 2,3-Ketoindoline; o-Aminobenzoylformic anhydride; 2,3-Dioxo-2,3-dihydroindole; 2,3-dihydro-1H-indole-2,3-dione; NSC 9262; UNII-82X95S7M06; EINECS 202-077-8; BRN 0383659; AI3-03111; CHEMBL326294; 2,3-dihydroindole-2,3-dione; CHEBI:27539; JXDYKVIHCLTXOP-UHFFFAOYSA-N; MFCD00005718; 82X95S7M06; 84788-92-1; Isatin, 98%
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C8H5NO2
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| Canonical SMILES |
C1=CC=C2C(=C1)C(=O)C(=O)N2
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| InChI |
1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
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| InChIKey |
JXDYKVIHCLTXOP-UHFFFAOYSA-N
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| CAS Number |
CAS 91-56-5
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:27539
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Monoamine oxidase type B (MAO-B) | Target Info | Inhibitor | [1], [2] |
| BioCyc | Superpathway of tryptophan utilization | |||
| Tryptophan degradation via tryptamine | ||||
| Dopamine degradation | ||||
| Putrescine degradation III | ||||
| Noradrenaline and adrenaline degradation | ||||
| KEGG Pathway | Glycine, serine and threonine metabolism | |||
| Arginine and proline metabolism | ||||
| Histidine metabolism | ||||
| Tyrosine metabolism | ||||
| Phenylalanine metabolism | ||||
| Tryptophan metabolism | ||||
| Drug metabolism - cytochrome P450 | ||||
| Metabolic pathways | ||||
| Serotonergic synapse | ||||
| Dopaminergic synapse | ||||
| Cocaine addiction | ||||
| Amphetamine addiction | ||||
| Alcoholism | ||||
| Panther Pathway | Adrenaline and noradrenaline biosynthesis | |||
| 5-Hydroxytryptamine degredation | ||||
| Dopamine receptor mediated signaling pathway | ||||
| Pathway Interaction Database | Alpha-synuclein signaling | |||
| WikiPathways | Tryptophan metabolism | |||
| Dopamine metabolism | ||||
| Phase 1 - Functionalization of compounds | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41. | |||
| REF 2 | Docking studies on monoamine oxidase-B inhibitors: estimation of inhibition constants (K(i)) of a series of experimentally tested compounds. Bioorg Med Chem Lett. 2005 Oct 15;15(20):4438-46. | |||
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