Drug Information

Drug General Information
Drug ID
D0U8KW
Former ID
DNC010679
Drug Name
LUF-6258
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530808]
Structure
Download
2D MOL

3D MOL
Formula
C39H45Cl2N7O6S
Canonical SMILES
C1CN(CC2=C1C(=C(S2)N)C(=O)C3=CC(=C(C=C3)Cl)Cl)CCCCCCCCC<br />OC4=CC=C(C=C4)NC5=NC=NC6=C5N=CN6C7C(C(C(O7)CO)O)O
InChI
1S/C39H45Cl2N7O6S/c40-27-13-8-23(18-28(27)41)33(50)31-26-14-16-47(19-30(26)55-36(31)42)15-6-4-2-1-3-5-7-17-53-25-11-9-24(10-12-25)46-37-32-38(44-21-43-37)48(22-45-32)39-35(52)34(51)29(20-49)54-39/h8-13,18,21-22,29,34-35,39,49,51-52H,1-7,14-17,19-20,42H2,(H,43,44,46)/t29-,34-,35-,39-/m1/s1
InChIKey
DERHYILBHUKLGL-VMPBLTEISA-N
PubChem Compound ID
46203501
Target and Pathway
Target(s) Adenosine A1 receptor Target Info Inhibitor [530808]
KEGG Pathway cGMP-PKG signaling pathway
cAMP signaling pathway
Sphingolipid signaling pathway
Neuroactive ligand-receptor interaction
Morphine addiction
NetPath Pathway TCR Signaling Pathway
RANKL Signaling Pathway
PANTHER Pathway Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
Reactome Adenosine P1 receptors
G alpha (i) signalling events
WikiPathways Nucleotide GPCRs
GPCRs, Class A Rhodopsin-like
GPCR ligand binding
GPCR downstream signaling
References
Ref 530808J Med Chem. 2010 Apr 22;53(8):3028-37.Hybrid ortho/allosteric ligands for the adenosine A(1) receptor.
Ref 530808J Med Chem. 2010 Apr 22;53(8):3028-37.Hybrid ortho/allosteric ligands for the adenosine A(1) receptor.

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