Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0E5DF
|
||||
| Former ID |
DNC006934
|
||||
| Drug Name |
BMS-587101
|
||||
| Synonyms |
BMS-688521
|
||||
| Drug Type |
Small molecular drug
|
||||
| Indication | Discovery agent | Investigative | [530861] | ||
| Formula |
C26H20Cl2N4O4S
|
||||
| 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
|
||||
| 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)
|
||||
| InChIKey |
NXNKJLOEGWSJGI-UHFFFAOYSA-N
|
||||
| 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). | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.