Drug Information

Drug General Information
Drug ID
D08IGF
Former ID
DNC000852
Drug Name
L-685,818
Drug Type
Small molecular drug
Indication Discovery agent Investigative [1]
Structure
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2D MOL

3D MOL
Formula
C43H69NO13
Canonical SMILES
CCC1C=C(C(C(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C<br />(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)O)C)O)C)OC)OC)C)O)C
InChI
1S/C43H69NO13/c1-10-29-18-23(2)37(48)24(3)19-35(54-8)39-36(55-9)20-26(5)43(52,57-39)40(49)41(50)44-16-12-11-13-30(44)42(51)56-38(27(6)32(46)22-33(29)47)25(4)17-28-14-15-31(45)34(21-28)53-7/h17-18,24,26-32,34-39,45-46,48,52H,10-16,19-22H2,1-9H3/b23-18+,25-17+/t24-,26+,27+,28?,29+,30-,31+,32-,34+,35-,36-,37+,38+,39+,43+/m0/s1
InChIKey
NOQNPBXNHMZMTC-AFKHLADTSA-N
PubChem Compound ID
44365228
PubChem Substance ID
103962795
Target and Pathway
Target(s) Calcineurin Target Info Inhibitor [2]
Kappa-type opioid receptor Target Info Antagonist [1]
KEGG Pathway MAPK signaling pathway
Calcium signaling pathway
cGMP-PKG signaling pathway
Oocyte meiosis
Apoptosis
Wnt signaling pathway
Axon guidance
VEGF signaling pathway
Osteoclast differentiation
Natural killer cell mediated cytotoxicity
T cell receptor signaling pathway
B cell receptor signaling pathway
Long-term potentiation
Glutamatergic synapse
Dopaminergic synapse
Oxytocin signaling pathway
Glucagon signaling pathway
Alzheimer's disease
Amyotrophic lateral sclerosis (ALS)
Amphetamine addiction
Tuberculosis
HTLV-I infectionhsa04080:Neuroactive ligand-receptor interaction
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
Opioid prodynorphin pathway
Reactome DARPP-32 events
FCERI mediated Ca+2 mobilization
Ca2+ pathwayR-HSA-375276:Peptide ligand-binding receptors
G alpha (i) signalling events
WikiPathways Mitochondrial Gene Expression
MAPK Signaling Pathway
G Protein Signaling Pathways
Cardiac Hypertrophic Response
Fc epsilon receptor (FCERI) signaling
Signaling by the B Cell Receptor (BCR)
T-Cell Receptor and Co-stimulatory Signaling
Amyotrophic lateral sclerosis (ALS)
Spinal Cord Injury
Alzheimers Disease
miR-targeted genes in muscle cell - TarBase
miR-targeted genes in lymphocytes - TarBase
Opioid Signalling
MicroRNAs in cardiomyocyte hypertrophy
Physiological and Pathological Hypertrophy of the HeartWP455:GPCRs, Class A Rhodopsin-like
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
REF 1FK-506-binding protein: three-dimensional structure of the complex with the antagonist L-685,818. J Biol Chem. 1993 May 25;268(15):11335-9.
REF 2Synergistic antifungal activities of bafilomycin A(1), fluconazole, and the pneumocandin MK-0991/caspofungin acetate (L-743,873) with calcineurin inhibitors FK506 and L-685,818 against Cryptococcus neoformans. Antimicrob Agents Chemother. 2000 Mar;44(3):739-46.

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