Drug Information

Drug General Information
Drug ID
D07XCA
Former ID
DNC004145
Drug Name
A-286982
Drug Type
Small molecular drug
Indication Discovery agent Investigative [541713]
Structure
Download
2D MOL

3D MOL
Formula
C24H27N3O4S
InChI
InChI=1S/C24H27N3O4S/c1-17(2)20-6-4-5-7-22(20)32-23-10-8-19(16-21(23)27(30)31)9-11-24(29)26-14-12-25(13-15-26)18(3)28/h4-11,16-17H,12-15H2,1-3H3/b11-9+
InChIKey
HTGGAYLWTDOFDK-PKNBQFBNSA-N
PubChem Compound ID
9846729
PubChem Substance ID
14808739, 24143718, 44944797, 80122047, 103185178, 103990982, 134341350, 139426368, 172649889, 178103205, 196372069, 198987132, 231615185, 237179908, 241376877, 249618116, 252157890, 252450272, 252543549
Target and Pathway
Target(s) Lymphocyte function-associated antigen 1 Target Info Inhibitor [531049]
Integrin beta-2 Target Info Inhibitor [526034]
mRNA of Intercellularadhesion molecule-1 Target Info Inhibitor [531049]
KEGG Pathway Rap1 signaling pathway
Cell adhesion molecules (CAMs)
Natural killer cell mediated cytotoxicity
Leukocyte transendothelial migration
Regulation of actin cytoskeleton
Malaria
Staphylococcus aureus infection
HTLV-I infection
Epstein-Barr virus infection
Rheumatoid arthritis
Viral myocarditishsa04015:Rap1 signaling pathway
Phagosome
Hippo signaling pathway
Pertussis
Legionellosis
Leishmaniasis
Amoebiasis
Tuberculosis
Viral myocarditishsa04064:NF-kappa B signaling pathway
TNF signaling pathway
African trypanosomiasis
Influenza A
Viral myocarditis
NetPath Pathway TCR Signaling Pathway
RANKL Signaling PathwayNetPath_17:IL5 Signaling Pathway
IL2 Signaling PathwayNetPath_17:IL5 Signaling Pathway
IL1 Signaling Pathway
TSH Signaling Pathway
IL6 Signaling Pathway
IL2 Signaling Pathway
ID Signaling Pathway
TWEAK Signaling Pathway
RANKL Signaling Pathway
TNFalpha Signaling Pathway
PANTHER Pathway Inflammation mediated by chemokine and cytokine signaling pathway
Integrin signalling pathwayP00034:Integrin signalling pathway
Pathway Interaction Database Integrin family cell surface interactions
Beta2 integrin cell surface interactions
CXCR3-mediated signaling eventsintegrin_cs_pathway:Integrin family cell surface interactions
amb2 Integrin signaling
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling
CXCR3-mediated signaling events
HIF-1-alpha transcription factor networktxa2pathway:Thromboxane A2 receptor signaling
Glucocorticoid receptor regulatory network
Reactome Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell
Cell surface interactions at the vascular wall
Integrin cell surface interactionsR-HSA-166016:Toll Like Receptor 4 (TLR4) Cascade
Integrin cell surface interactionsR-HSA-198933:Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell
Integrin cell surface interactions
Interferon gamma signaling
WikiPathways Focal Adhesion
Integrin-mediated Cell Adhesion
Integrin cell surface interactions
Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell
Cell surface interactions at the vascular wallWP306:Focal Adhesion
Human Complement System
Toll-Like Receptors Cascades
Cell surface interactions at the vascular wallWP619:Type II interferon signaling (IFNG)
IL1 and megakaryotyces in obesity
Spinal Cord Injury
Interleukin-11 Signaling Pathway
RANKL/RANK Signaling Pathway
Folate Metabolism
Vitamin B12 Metabolism
Selenium Micronutrient Network
References
Ref 541713(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6592).
Ref 526034J Med Chem. 2001 Apr 12;44(8):1202-10.Novel p-arylthio cinnamides as antagonists of leukocyte function-associated antigen-1/intracellular adhesion molecule-1 interaction. 2. Mechanism of inhibition and structure-based improvement of pharmaceutical properties.
Ref 531049Bioorg Med Chem Lett. 2010 Sep 1;20(17):5269-73. Epub 2010 Jul 23.Discovery of tetrahydroisoquinoline (THIQ) derivatives as potent and orally bioavailable LFA-1/ICAM-1 antagonists.

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