Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0XL9J
|
||||
| Former ID |
DNC004945
|
||||
| Drug Name |
Ro-11-04253
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [1] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C20H26F4N4O5
|
||||
| Canonical SMILES |
CC1(C(NC(=O)N(C1=O)CCCN2CCN(CC2)C3=C(C=C(C=C3)F)OCC(F)(<br />F)F)O)O
|
||||
| InChI |
1S/C20H26F4N4O5/c1-19(32)16(29)25-18(31)28(17(19)30)6-2-5-26-7-9-27(10-8-26)14-4-3-13(21)11-15(14)33-12-20(22,23)24/h3-4,11,16,29,32H,2,5-10,12H2,1H3,(H,25,31)/t16-,19+/m1/s1
|
||||
| InChIKey |
CFECXSNWRXZHNR-APWZRJJASA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Alpha-1A adrenergic receptor | Target Info | Inhibitor | [1] | |
| 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 | |||||
| PANTHER Pathway | Alpha adrenergic receptor signaling pathway | ||||
| 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 | |||||
| References | |||||
| REF 1 | Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.