Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D03DVF
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| Former ID |
DNC000669
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| Drug Name |
Gabaculine
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| Synonyms |
DL-Gabaculine; 3-Amino-2,3-dihydrobenzoic acid; GABACULINE, D.L-; Gabaculin; 59556-18-2; 5-Amino-1,3-cyclohexadienylcarboxylic acid; 5-aminocyclohexa-1,3-diene-1-carboxylic acid; NSC-329502; 87980-11-8; C7H9NO2; (+-)-Gabaculine; AC1L1FYB; AC1Q5RCE; Biomol-NT_000232; Lopac0_000006; SCHEMBL2024044; BPBio1_000639; CHEMBL1394922; CTK1H1588; DTXSID90274399; KFNRJXCQEJIBER-UHFFFAOYSA-N; CPD0-1467; NSC329502; Benzoic acid, 3-amino-2,3-dihydro-; NSC 329502; CCG-204102; NCGC00015051-04; NCGC00015051-03; NCGC00162040-01; NCGC00015051-02
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C7H9NO2
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| Canonical SMILES |
C1C(C=CC=C1C(=O)O)N
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| InChI |
1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)
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| InChIKey |
KFNRJXCQEJIBER-UHFFFAOYSA-N
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| CAS Number |
CAS 59556-18-2
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| PubChem Compound ID | ||||
| PubChem Substance ID |
14257, 458981, 5651495, 8152191, 26755642, 29222579, 47515430, 47589105, 48259366, 50065350, 50110920, 57321803, 79929192, 90340700, 92298686, 103144062, 104303536, 117542411, 124749375, 124879164, 124879165, 125684828, 128375057, 134223543, 135072385, 137017169, 140121317, 144081618, 162548794, 174510235, 179466161, 228179105, 249961336
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| ChEBI ID |
CHEBI:29585
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Bacterial Glutamate-1-semialdehyde aminomutase (Bact hemL) | Target Info | Inhibitor | [1], [2] |
| Panther Pathway | Heme biosynthesis | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | A suicide vector for allelic recombination involving the gene for glutamate 1-semialdehyde aminotransferase in the cyanobacterium Synechococcus PCC 7942. Mol Gen Genet. 1997 Jul;255(4):392-9. | |||
| REF 2 | Gabaculine-resistant glutamate 1-semialdehyde aminotransferase of Synechococcus. Deletion of a tripeptide close to the NH2 terminus and internal amino acid substitution. J Biol Chem. 1991 Jul 5;266(19):12495-501. | |||
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