| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 16 | Yes |
Popular Name: Clofibrate Clofibrate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 637-07-0 , [637-07-0]
2-(4-CHLOROPHENOXY)-2-METHYLPROPANOIC ACID ETHYL ESTER
637-07-0; Atromid-S (TN); Clofibrate (JP16/USP/INN); D00279
Chlorophenoxyisobutyrate, Ethyl
clofibrate; clofibrato; clofibratum
ethyl 2-(4-chlorophenoxy)-2-methylpropanoate
Ethyl 2-(4-chlorophenoxy)isobutyrate
Ethyl 2-(p-chlorophenoxy)isobutyrate
Ethyl alpha-(4-chlorophenoxy)isobutyrate
Ethyl alpha-(p-chlorophenoxy)isobutyrate
Ethyl alpha-p-chlorophenoxyisobutyrate
Ethyl chlorophenoxyisobutyrate
Ethyl p-chlorophenoxyisobutyrate
Ethyl para-chlorophenoxyisobutyrate
ethyl-2-(4-chlorophenoxy)-2-methylpropanoate
Ethyl-alpha-p-chlorophenoxy-isobutyrate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.72 | 7.71 | -6.06 | 0 | 3 | 0 | 36 | 242.702 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 154 - 156 | Acros Organics |
| ALOGPS_SOLUBILITY | 2.90e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >98% | Fluorochem |
| UniProt Database Links | ACOT1_MOUSE; ACOT1_RAT; ACOT2_MOUSE; ACOT3_MOUSE; ACOT4_MOUSE; ACOT8_HUMAN; CP4A2_RAT; CP4AA_RAT; CP4AE_RAT; EPIB_STAEP; ERC2_HUMAN; ERC2_MOUSE; ERC2_RAT; FABPL_LEPPA; HYES_HUMAN; HYES_MOUSE; HYES_RAT; LIPA1_HUMAN; LIPA2_HUMAN; LIPA2_MOUSE; LIPA3_HUMAN; L | ChEBI |
| therap | antihyperlipidemic | MicroSource Spectrum |
| Therapy | Antihyperlipoproteinemic; increases lipoprotein lipase activity, thus enhancing the rate of intravascular catabolism of | SMDC Pharmakon |
| Patent Database Links | EP1258253; EP1522310; EP1553091; EP1559419; EP1559710; EP1634605; EP1652913; EP1655037; EP1714648; EP1746099; EP1785144; EP1832576; EP1884513; EP1889847; EP1894567; EP1911462; EP1939188; EP1958636; EP1997489; US2002082257; US2002111364; US2002128266; US20 | ChEBI |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H351: Suspected of causing cancer | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABPL-3-E | Fatty Acid-binding Protein, Liver (cluster #3 Of 4), Eukaryotic | Eukaryotes | 9600 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| FABPL_RAT | P02692 | Fatty Acid-binding Protein, Liver, Rat | 6000 | 0.46 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| PPARA activates gene expression | |
| Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alp |
