Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0EO4F
|
|||
| Former ID |
DNC003763
|
|||
| Drug Name |
A-123189
|
|||
| Synonyms |
A-123189; CHEMBL13856; GTPL491; SCHEMBL7834335; BDBM50099325; A123189; A 123189; 3-{2-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-ethyl}-5-m-tolyl-1H-thieno[2,3-d]pyrimidine-2,4-dione; 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-5-(3-methylphenyl)-1H-thieno[3,2-e]pyrimidine-2,4-dione
Click to Show/Hide
|
|||
| Drug Type |
Small molecular drug
|
|||
| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
||
| Formula |
C26H28N4O3S
|
|||
| Canonical SMILES |
CC1=CC(=CC=C1)C2=CSC3=C2C(=O)N(C(=O)N3)CCN4CCN(CC4)C5=CC=CC=C5OC
|
|||
| InChI |
1S/C26H28N4O3S/c1-18-6-5-7-19(16-18)20-17-34-24-23(20)25(31)30(26(32)27-24)15-12-28-10-13-29(14-11-28)21-8-3-4-9-22(21)33-2/h3-9,16-17H,10-15H2,1-2H3,(H,27,32)
|
|||
| InChIKey |
PANBMHHKBRMYAL-UHFFFAOYSA-N
|
|||
| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adrenergic receptor alpha-1A (ADRA1A) | Target Info | Inhibitor | [2] |
| Adrenergic receptor alpha-1B (ADRA1B) | Target Info | Inhibitor | [3] | |
| KEGG Pathway | Calcium signaling pathway | |||
| cGMP-PKG signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| AMPK signaling pathway | ||||
| Adrenergic signaling in cardiomyocytes | ||||
| Vascular smooth muscle contraction | ||||
| Salivary secretion | ||||
| NetPath Pathway | IL2 Signaling Pathway | |||
| Panther Pathway | Alpha adrenergic receptor signaling pathway | |||
| Pathway Interaction Database | LPA receptor mediated events | |||
| Reactome | Adrenoceptors | |||
| G alpha (q) signalling events | ||||
| G alpha (12/13) signalling events | ||||
| WikiPathways | Monoamine GPCRs | |||
| Calcium Regulation in the Cardiac Cell | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| Endothelin Pathways | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| AMPK Signaling | ||||
| Vitamin D Receptor Pathway | ||||
| 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: 491). | |||
| REF 2 | Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64. | |||
| REF 3 | Two novel and potent 3-[(o-methoxyphenyl)piperazinylethyl]-5-phenylthien. Bioorg Med Chem Lett. 2001 May 7;11(9):1119-21. | |||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.