Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0U8KW
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| Former ID |
DNC010679
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| Drug Name |
LUF-6258
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| Synonyms |
LUF-6258; CHEMBL1090687; BDBM50315855
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C39H45Cl2N7O6S
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| Canonical SMILES |
C1CN(CC2=C1C(=C(S2)N)C(=O)C3=CC(=C(C=C3)Cl)Cl)CCCCCCCCCOC4=CC=C(C=C4)NC5=C6C(=NC=N5)N(C=N6)C7C(C(C(O7)CO)O)O
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| 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
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| InChIKey |
DERHYILBHUKLGL-VMPBLTEISA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Adenosine A1 receptor (ADORA1) | Target Info | Inhibitor | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Hybrid ortho/allosteric ligands for the adenosine A(1) receptor. J Med Chem. 2010 Apr 22;53(8):3028-37. | |||
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