Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Z3FP
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| Former ID |
DIB020496
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| Drug Name |
NBBCC
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| Synonyms |
N-Butyl-beta-carboline-3-carboxylate; beta-Ccb; 84454-35-3; N-Butyl beta-carboline-3-carboxylate; butyl; butyl 9H-pyrido[3,4-b]indole-3-carboxylate; beta-CARBOLINE-3-CARBOXYLIC ACID BUTYL ESTER; WGNGIELOOKACSB-UHFFFAOYSA-N; Tocris-0405; Biomol-NT_000274; AC1Q66WT; I(2)-CCB; GTPL2374; SCHEMBL2214572; CHEMBL148296; BPBio1_001057; AC1L2U46; CHEBI:34867; Butyl -carboline-3-carboxylate; DTXSID90233426; MolPort-023-275-884; HMS3266M05; Butyl beta-carboline-3-carboxylate; ZINC2555360; Butyl; n-butyl-beta-carboline-3-carboxylate
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL
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| Formula |
C16H16N2O2
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| Canonical SMILES |
CCCCOC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
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| InChI |
1S/C16H16N2O2/c1-2-3-8-20-16(19)14-9-12-11-6-4-5-7-13(11)18-15(12)10-17-14/h4-7,9-10,18H,2-3,8H2,1H3
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| InChIKey |
WGNGIELOOKACSB-UHFFFAOYSA-N
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| CAS Number |
CAS 84454-35-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
854050, 4411269, 10242102, 11113484, 26751703, 26751704, 29307629, 47659927, 47734116, 50583113, 57342658, 85084546, 85788333, 103391666, 103815575, 103937131, 104368547, 117581374, 125818632, 129578349, 134349902, 135084381, 135650693, 135697903, 137846870, 162022675, 162092318, 184581947, 223442302, 224309038, 228343486, 241181654, 241376781, 249617166, 250049263, 252345886
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| ChEBI ID |
CHEBI:34867
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Glycine receptor (GlyR) | Target Info | . | [2] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Reactome | Ligand-gated ion channel transport | |||
| WikiPathways | Iron uptake and transport | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2374). | |||
| REF 2 | Developmental regulation of beta-carboline-induced inhibition of glycine-evoked responses depends on glycine receptor beta subunit expression. Mol Pharmacol. 2005 May;67(5):1783-96. | |||
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