Drug Information
Drug General Information | |||||
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Drug ID |
D0E5DF
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Former ID |
DNC006934
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Drug Name |
BMS-587101
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Synonyms |
BMS-688521
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Drug Type |
Small molecular drug
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Indication | Discovery agent | Investigative | [530861] | ||
Formula |
C26H20Cl2N4O4S
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Canonical SMILES |
CN1C(=O)N(C(=O)C12CN(CC2C3=CC=C(C=C3)C#N)CC4=CC(=CS4)C(<br />=O)O)C5=CC(=CC(=C5)Cl)Cl
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InChI |
1S/C26H20Cl2N4O4S/c1-30-25(36)32(20-8-18(27)7-19(28)9-20)24(35)26(30)14-31(11-21-6-17(13-37-21)23(33)34)12-22(26)16-4-2-15(10-29)3-5-16/h2-9,13,22H,11-12,14H2,1H3,(H,33,34)
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InChIKey |
NXNKJLOEGWSJGI-UHFFFAOYSA-N
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PubChem Compound ID | |||||
Target and Pathway | |||||
Target(s) | Integrin beta-2 | Target Info | Inhibitor | [528539] | |
Lymphocyte function-associated antigen 1 | Target Info | Inhibitor | [530861] | ||
KEGG Pathway | Rap1 signaling pathway | ||||
Phagosome | |||||
Hippo signaling pathway | |||||
Cell adhesion molecules (CAMs) | |||||
Natural killer cell mediated cytotoxicity | |||||
Leukocyte transendothelial migration | |||||
Regulation of actin cytoskeleton | |||||
Pertussis | |||||
Legionellosis | |||||
Leishmaniasis | |||||
Malaria | |||||
Amoebiasis | |||||
Staphylococcus aureus infection | |||||
Tuberculosis | |||||
HTLV-I infection | |||||
Rheumatoid arthritis | |||||
Viral myocarditishsa04015:Rap1 signaling pathway | |||||
Epstein-Barr virus infection | |||||
Viral myocarditis | |||||
Pathway Interaction Database | Integrin family cell surface interactions | ||||
amb2 Integrin signaling | |||||
Beta2 integrin cell surface interactions | |||||
Urokinase-type plasminogen activator (uPA) and uPAR-mediated signaling | |||||
CXCR3-mediated signaling events | |||||
HIF-1-alpha transcription factor networkintegrin_cs_pathway:Integrin family cell surface interactions | |||||
Reactome | Toll Like Receptor 4 (TLR4) Cascade | ||||
Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |||||
Cell surface interactions at the vascular wall | |||||
Integrin cell surface interactionsR-HSA-198933:Immunoregulatory interactions between a Lymphoid and a non-Lymphoid cell | |||||
Integrin cell surface interactions | |||||
WikiPathways | Focal Adhesion | ||||
Human Complement System | |||||
Toll-Like Receptors Cascades | |||||
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 | |||||
Cell surface interactions at the vascular wall | |||||
References | |||||
Ref 530861 | J Med Chem. 2010 May 13;53(9):3814-30.Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). | ||||
Ref 528539 | J Med Chem. 2006 Nov 30;49(24):6946-9.Discovery and development of 5-[(5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]non-7-yl-methyl]-3-thiophenecarboxylic acid (BMS-587101)--a small molecule antagonist of leukocyte function associated antigen-1. | ||||
Ref 530861 | J Med Chem. 2010 May 13;53(9):3814-30.Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). |
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