Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0X2CC
|
|||
| Former ID |
DNC011787
|
|||
| Drug Name |
1-(9H-beta-Carbolin-3-yl)-butan-1-one
|
|||
| Synonyms |
CHEMBL69719; AC1NFSYI; 1-(9H-beta-Carbolin-3-yl)-butan-1-one; 3-Butyryl-beta-carboline; CHEMBL510764; ZINC7260873; BDBM50001474
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C15H14N2O
|
|||
| Canonical SMILES |
CCCC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
|
|||
| InChI |
1S/C15H14N2O/c1-2-5-15(18)13-8-11-10-6-3-4-7-12(10)17-14(11)9-16-13/h3-4,6-9,17H,2,5H2,1H3
|
|||
| InChIKey |
QIZPCEVRKTWHIE-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | GABA(A) receptor alpha-1 (GABRA1) | Target Info | Inhibitor | [1] |
| Gamma-aminobutyric acid receptor (GAR) | Target Info | Inhibitor | [1] | |
| 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. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.