| Version |
1.0 |
| Creation Date |
2009-07-21 20:28:39 |
| Update Date |
2010-05-18 21:01:41 |
| Accession Number |
T3D3021 |
| Name |
Ridogrel |
| Compound Type |
- Drug
- Enzyme Inhibitor
- Gastrointestinal Agent
- Platelet Aggregation Inhibitor
- Thrombolytic Agent
|
| Description |
Ridogrel is a dual action drug useful for the prevention of systemic thrombo-embolism and as an adjunctive agent to thrombolytic therapy in acute myocardial infarction. However, there currently are no clinical indications for preferential use of ridogrel over aspirin. |
| Synonyms |
- Ridogrelum [INN-Latin]
|
| Chemical IUPAC Name |
5-[({pyridin-3-yl[3-(trifluoromethyl)phenyl]methylidene}amino)oxy]pentanoic acid |
| Chemical Formula |
C18H17F3N2O3 |
| Chemical Structure |
 |
| CAS Registry Number |
110140-89-1 |
| InChI Identifier |
InChI=1S/C18H17F3N2O3/c19-18(20,21)15-7-3-5-13(11-15)17(14-6-4-9-22-12-14)23-26-10-2-1-8-16(24)25/h3-7,9,11-12H,1-2,8,10H2,(H,24,25) |
| InChI Key |
InChIKey=GLLPUTYLZIKEGF-UHFFFAOYSA-N |
| PubChem Compound ID |
5362391  |
| KEGG ID |
Not Available |
| UniProt ID |
Not Available |
| OMIM ID |
Not Available |
| ChEBI ID |
Not Available |
| BioCyc ID |
Not Available |
| SuperToxic ID |
Not Available |
| CTD ID |
Not Available |
| Stitch ID |
Ridogrel |
| DrugBank ID |
DB01207 |
| PDB ID |
Not Available |
| ACToR ID |
Not Available |
| Wikipedia Link |
Not Available |
| Monoisotopic Mass |
366.119127 |
| MOL File |
Show |
| PDB File |
Show |
| SDF File |
Show |
| SMILES |
OC(=O)CCCCON=C(C1=CC=CN=C1)C1=CC=CC(=C1)C(F)(F)F |
| Appearance |
Not Available |
| Melting Point |
Not Available |
| Solubility |
Not Available |
| Predicted LogP |
3.0589 |
| Route of Exposure |
Not Available |
| Mechanism of Action |
Ridogrel inhibits thromboxane A2 synthase and also blocks the thromboxane A2/prostaglandin endoperoxide receptors. Thromboxane synthetase produces thromboxane in platelets. Thromboxane is a vasoconstrictor and facilitates the clumping of platelets. Therefore by inhibiting the production and promotion of thromboxane, thrombolysis is reduced. |
| Metabolism |
Not Available |
| Toxicity Values |
Not Available |
| Lethal Dose |
Not Available |
| Carcinogenicity (IARC Classification) |
Not Available |
| Uses/Sources |
Not Available |
| Minimum Risk Level |
Not Available |
| Health Effects |
Not Available |
| Symptoms |
Not Available |
| Treatment |
Not Available |
| General References |
- S405 - DrugBank: a knowledgebase for drugs, drug actions and drug targets. Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. [PubMed ]
|
| Targets |
- Thromboxane A2 synthase
- Thromboxane A2 receptor
|
|
Target 1
[top]
|
| Target 1 ID |
1316 |
| Target 1 Name |
Thromboxane A2 synthase |
| Target 1 Mechanism of Action |
Ridogrel inhibits thromboxane A2 synthase and also blocks the thromboxane A2/prostaglandin endoperoxide receptors.
Thromboxane synthetase produces thromboxane in platelets. Thromboxane is a vasoconstrictor and facilitates the clumping of platelets. Therefore by inhibiting the production and promotion of thromboxane, thrombolysis is reduced. |
| Target 1 Description |
Not Available |
| Target 1 Synonyms |
Not Available |
| Target 1 Gene Name |
Not Available |
| Target 1 Protein Sequence |
Not Available |
| Target 1 Number of Residues |
Not Available |
| Target 1 Molecular Weight |
Not Available |
| Target 1 Theoretical pI |
Not Available |
| Target 1 GO Classification |
Not Available |
| Target 1 General Function |
Not Available |
| Target 1 Pathways |
Not Available |
| Target 1 Reactions |
Not Available |
| Target 1 Signals |
Not Available |
| Target 1 Transmembrane Regions |
Not Available |
| Target 1 Essentiality |
Not Available |
| Target 1 Domain Function |
Not Available |
| Target 1 GenBank ID Protein |
Not Available |
| Target 1 UniProtKB ID |
O14987 |
| Target 1 Cellular Location |
Not Available |
| Target 1 Gene Sequence |
Not Available |
| Target 1 GenBank Gene ID |
Not Available |
| Target 1 GeneCard ID |
Not Available |
| Target 1 GenAtlas ID |
Not Available |
| Target 1 HGNC ID |
Not Available |
| Target 1 Chromosome Location |
Not Available |
| Target 1 Locus |
Not Available |
| Target 1 SNPs |
Not Available |
| Target 1 Toxin References |
- S405 - DrugBank: a knowledgebase for drugs, drug actions and drug targets. Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. [PubMed ]
|
| Target 1 General References |
Not Available |
|
Target 2
[top]
|
| Target 2 ID |
1317 |
| Target 2 Name |
Thromboxane A2 receptor |
| Target 2 Mechanism of Action |
Ridogrel inhibits thromboxane A2 synthase and also blocks the thromboxane A2/prostaglandin endoperoxide receptors.
Thromboxane synthetase produces thromboxane in platelets. Thromboxane is a vasoconstrictor and facilitates the clumping of platelets. Therefore by inhibiting the production and promotion of thromboxane, thrombolysis is reduced. |
| Target 2 Description |
Receptor for thromboxane A2 (TXA2), a potent stimulator of platelet aggregation. The activity of this receptor is mediated by a G-protein that activates a phosphatidylinositol-calcium second messenger system. In the kidney, the binding of TXA2 to glomerular TP receptors causes intense vasoconstriction. Activates phospholipase C. Isoform 1 activates adenylyl cyclase, isoform 2 inhibits adenylyl cyclase |
| Target 2 Synonyms |
- TXA2-R; Prostanoid TP receptor
|
| Target 2 Gene Name |
TBXA2R |
| Target 2 Protein Sequence |
>Thromboxane A2 receptor
MWPNGSSLGPCFRPTNITLEERRLIASPWFAASFCVVGLASNLLALSVLAGARQGGSHTR
SSFLTFLCGLVLTDFLGLLVTGTIVVSQHAALFEWHAVDPGCRLCRFMGVVMIFFGLSPL
LLGAAMASERYLGITRPFSRPAVASQRRAWATVGLVWAAALALGLLPLLGVGRYTVQYPG
SWCFLTLGAESGDVAFGLLFSMLGGLSVGLSFLLNTVSVATLCHVYHGQEAAQQRPRDSE
VEMMAQLLGIMVVASVCWLPLLVFIAQTVLRNPPAMSPAGQLSRTTEKELLIYLRVATWN
QILDPWVYILFRRAVLRRLQPRLSTRPRSLSLQPQLTQRSGLQ
|
| Target 2 Number of Residues |
343 |
| Target 2 Molecular Weight |
37430.7 |
| Target 2 Theoretical pI |
10.09 |
| Target 2 GO Classification |
|
Function
|
icosanoid receptor activity
prostanoid receptor activity
thromboxane receptor activity
signal transducer activity
receptor activity
transmembrane receptor activity
G-protein coupled receptor activity
rhodopsin-like receptor activity |
|
Process
|
cellular process
cell communication
signal transduction
cell surface receptor linked signal transduction
G-protein coupled receptor protein signaling pathway |
|
Component
|
cell
membrane
intrinsic to membrane
integral to membrane |
|
| Target 2 General Function |
Involved in thromboxane A2 receptor activity |
| Target 2 Pathways |
Not Available |
| Target 2 Reactions |
Not Available |
| Target 2 Signals |
|
| Target 2 Transmembrane Regions |
- 30-52
- 67-87
- 107-128
- 150-172
- 194-219
- 247-270
- 290-311
|
| Target 2 Essentiality |
Non Essential |
| Target 2 Domain Function |
PF00001:7tm_1 |
| Target 2 GenBank ID Protein |
Not Available |
| Target 2 UniProtKB ID |
P21731 |
| Target 2 Cellular Location |
Cell membrane |
| Target 2 Gene Sequence |
>1032 bp
ATGTGGCCCAACGGCAGTTCCCTGGGGCCCTGTTTCCGGCCCACAAACATTACCCTGGAG
GAGAGACGGCTGATCGCCTCGCCCTGGTTCGCCGCCTCCTTCTGCGTGGTGGGCCTGGCC
TCCAACCTGCTGGCCCTGAGCGTGCTGGCGGGCGCGCGGCAGGGGGGTTCGCACACGCGC
TCCTCCTTCCTCACCTTCCTCTGCGGCCTCGTCCTCACCGACTTCCTGGGGCTGCTGGTG
ACCGGTACCATCGTGGTGTCCCAGCACGCCGCGCTCTTCGAGTGGCACGCCGTGGACCCT
GGCTGCCGTCTCTGTCGCTTCATGGGCGTCGTCATGATCTTCTTCGGCCTGTCCCCGCTG
CTGCTGGGGGCCGCCATGGCCTCAGAGCGCTACCTGGGTATCACCCGGCCCTTCTCGCGC
CCGGCGGTCGCCTCGCAGCGCCGCGCCTGGGCCACCGTGGGGCTGGTGTGGGCGGCCGCG
CTGGCGCTGGGCCTGCTGCCCCTGCTGGGCGTGGGTCGCTACACCGTGCAATACCCGGGG
TCCTGGTGCTTCCTGACGCTGGGCGCCGAGTCCGGGGACGTGGCCTTCGGGCTGCTCTTC
TCCATGCTGGGCGGCCTCTCGGTCGGGCTGTCCTTCCTGCTGAACACGGTCAGCGTGGCC
ACCCTGTGCCACGTCTACCACGGGCAGGAGGCGGCCCAGCAGCGTCCCCGGGACTCCGAG
GTGGAGATGATGGCTCAGCTCCTGGGGATCATGGTGGTGGCCAGCGTGTGTTGGCTGCCC
CTTCTGGTCTTCATTGCCCAGACAGTGCTGCGAAACCCGCCTGCCATGAGCCCCGCCGGG
CAGCTGTCCCGCACCACGGAGAAGGAGCTGCTCATCTACTTGCGCGTGGCCACCTGGAAC
CAGATCCTGGACCCCTGGGTGTATATCCTGTTCCGCCGCGCCGTGCTCCGGCGTCTCCAG
CCTCGCCTCAGCACCCGGCCCAGGTCGCTGTCCCTCCAGCCCCAGCTCACGCAGCGCTCC
GGGCTGCAGTAG
|
| Target 2 GenBank Gene ID |
Not Available |
| Target 2 GeneCard ID |
TBXA2R |
| Target 2 GenAtlas ID |
TBXA2R |
| Target 2 HGNC ID |
HGNC:11608 |
| Target 2 Chromosome Location |
Chromosome:19 |
| Target 2 Locus |
19p13.3 |
| Target 2 SNPs |
SNPJam Report |
| Target 2 Toxin References |
- S405 - DrugBank: a knowledgebase for drugs, drug actions and drug targets. Wishart DS, Knox C, Guo AC, Cheng D, Shrivastava S, Tzur D, Gautam B, Hassanali M. Nucleic Acids Res. 2008 Jan;36(Database issue):D901-6. [PubMed ]
|
| Target 2 General References |
1825698; 8227091; 8034687; 7896853; 7965765; 15057824; 15489334 |
