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 [527393]
Structure
Download
2D MOL

3D 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
44390740
Target and Pathway
Target(s) Alpha-1A adrenergic receptor Target Info Inhibitor [527393]
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 527393Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.Pharmacophore identification of alpha(1A)-adrenoceptor antagonists.
Ref 527393Bioorg 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.