PEM
2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID
| Created: | 2002-05-24 |
| Last modified: | 2011-06-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 45 |
| Chiral Atom Count | 0 |
| Bond Count | 46 |
| Aromatic Bond Count | 12 |
Chemical Component Summary | |
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| Name | 2-[P-[2-P-CHLOROBENZAMIDO)ETHYL]PHENOXY]-2-METHYLPROPIONIC ACID |
| Systematic Name (OpenEye OEToolkits) | 2-[4-[2-[(4-chlorophenyl)carbonylamino]ethyl]phenoxy]-2-methyl-propanoic acid |
| Formula | C19 H20 Cl N O4 |
| Molecular Weight | 361.819 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(c1ccc(Cl)cc1)NCCc2ccc(OC(C(=O)O)(C)C)cc2 |
| SMILES | CACTVS | 3.341 | CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl |
| Canonical SMILES | CACTVS | 3.341 | CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C(=O)O)Oc1ccc(cc1)CCNC(=O)c2ccc(cc2)Cl |
| InChI | InChI | 1.03 | InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.03 | IIBYAHWJQTYFKB-UHFFFAOYSA-N |
Drug Info: DrugBank
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| DrugBank ID | DB01393? |
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| Name | Bezafibrate |
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| Description | Antilipemic agent that lowers cholesterol and triglycerides. It decreases low density lipoproteins and increases high density lipoproteins. |
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| Brand Names |
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| Indication | For the treatment of primary hyperlipidaemia types IIa, IIb, III, IV and V (Fredrickson classification) corresponding to groups I, II and III of the European Atherosclerosis Society guidelines - when diet alone or improvements in lifestyle such as increased exercise or weight reduction do not lead to an adequate response. Also for the treatment of secondary hyperlipidaemias, e.g. severe hypertriglyceridemias, when sufficient improvement does not occur after correction of the underlying disorder (e.g. diabetes mellitus). |
| Categories |
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| ATC-Code | C10AB02 |
| CAS number | 41859-67-0 |
Drug Targets
DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | MEQPQEEAPEVREEEEKEEVAEAEGAPELNGGPQHALPSSSYTDLSRSSS... | unknown | agonist |
| Peroxisome proliferator-activated receptor gamma | MGETLGDSPIDPESDSFTDTLSANISQEMTMVDTEMPFWPTNFGISSVDL... | unknown | agonist |
| Peroxisome proliferator-activated receptor alpha | MVDTESPLCPLSPLEAGDLESPLSEEFLQEMGNIQEISQSIGEDSSGSFG... | unknown | agonist |
| Nuclear receptor subfamily 1 group I member 2 | MEVRPKESWNHADFVHCEDTESVPGKPSVNADEEVGGPQICRVCGDKATG... | unknown | partial agonist |
| Retinoic acid receptor RXR-alpha | MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSP... | unknown | agonist |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL264374 |
| PubChem | 39042 |
| ChEMBL | CHEMBL264374 |
| ChEBI | CHEBI:47612 |
| CCDC/CSD | VAMBOA01, ZIGGAA, VAMBOA03, ZIGFON, VORWAD, ZIGGII, ZIGGEE, VAMBOA02, VAMBOA, ZASLOY, ZASLIS, ZASLAK |
| COD | 4509257, 4509258 |
