Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D06WMM
|
|||
Former ID |
DNC011807
|
|||
Drug Name |
3-Butoxy-9H-beta-carboline
|
|||
Synonyms |
CHEMBL66902; 3-butoxy-9H-pyrido[3,4-b]indole; AC1NFSYC; 3-Butoxy-beta-carboline; CHEMBL458012; SCHEMBL10644773; ZINC6869004
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
Structure |
Download2D MOL |
|||
Formula |
C15H16N2O
|
|||
Canonical SMILES |
CCCCOC1=NC=C2C(=C1)C3=CC=CC=C3N2
|
|||
InChI |
1S/C15H16N2O/c1-2-3-8-18-15-9-12-11-6-4-5-7-13(11)17-14(12)10-16-15/h4-7,9-10,17H,2-3,8H2,1H3
|
|||
InChIKey |
UARMCWOWRLFTFP-UHFFFAOYSA-N
|
|||
PubChem Compound ID |
Target and Pathway | Top | |||
---|---|---|---|---|
Target(s) | GABA(A) receptor alpha-1 (GABRA1) | Target Info | Inhibitor | [1], [2] |
GABA(A) receptor alpha-2 (GABRA2) | Target Info | Inhibitor | [2] | |
GABA(A) receptor alpha-3 (GABRA3) | Target Info | Inhibitor | [2] | |
GABA(A) receptor alpha-5 (GABRA5) | Target Info | Inhibitor | [2] | |
GABA(A) receptor gamma-2 (GABRG2) | Target Info | Inhibitor | [2] | |
Gamma-aminobutyric acid receptor (GAR) | Target Info | Inhibitor | [1], [2] | |
KEGG Pathway | Neuroactive ligand-receptor interaction | |||
Retrograde endocannabinoid signaling | ||||
GABAergic synapse | ||||
Morphine addiction | ||||
Nicotine addiction | ||||
Reactome | Ligand-gated ion channel transport | |||
GABA A receptor activation | ||||
WikiPathways | SIDS Susceptibility Pathways | |||
Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | ||||
Iron uptake and transport |
References | Top | |||
---|---|---|---|---|
REF 1 | Predictive binding of beta-carboline inverse agonists and antagonists via the CoMFA/GOLPE approach. J Med Chem. 1992 Oct 30;35(22):4001-10. | |||
REF 2 | Design, synthesis, and subtype selectivity of 3,6-disubstituted -carbolines at Bz/GABA(A)ergic receptors. SAR and studies directed toward agents f... Bioorg Med Chem. 2010 Nov 1;18(21):7548-64. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.