In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2004 | 30 | Yes |
Popular Name: Fluvastatin Fluvastatin
Find On: PubMed — Wikipedia — Google
CAS Numbers: 155229-75-7 , 1807940-79-9 , 93957-54-1 , 93957-55-2 , [93957-54-1]
(+)-(3R,5S)-fluvastatin(1-); (+)-fluvastatin(1-); (3R,5S)-(+)-fluvastatin(1-)
(3R,5S,6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
(3R,5S,E)-7-(3-(4-Fluorophenyl)-1-isopropyl-1H-indol-2-yl)-3,5-dihydroxyhept-6-enoic acid
(6E)-7-[3-(4-fluorophenyl)-1-(propan-2-yl)-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
(6E)-7-[3-(4-fluorophenyl)-1-isopropyl-1H-indol-2-yl]-3,5-dihydroxyhept-6-enoic acid
93957-54-1; CPD001453708; SAM002548940; fluvastatin
93957-55-2; Fluvastatin sodium salt; Prestwick_1032
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) | 4.14 | 11.25 | -51.38 | 2 | 5 | -1 | 86 | 410.465 | 8 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
MP | 203 - 205 | Enamine Building Blocks |
MP | 203...205 | Enamine Building Blocks |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Indications | antihypercholesterolemic | KeyOrganics Bioactives |
Therapy | antihyperlipidemic, HMGCoA reductase inhibitor | SMDC Pharmakon |
Patent Database Links | EP0987251; EP0992496; EP1127573; EP1254667; EP1258253; EP1325745; EP1452526; EP1452530; EP1477474; EP1479666; EP1510208; EP1510521; EP1520590; EP1533292; EP1541175; EP1553091; EP1559710; EP1563837; EP1584333; EP1586644; EP1593670; EP1604686; EP1609469; EP | ChEBI |
Target | HMG-CoA Reductase | Selleck Chemicals |
PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Enamine; NCC_SUPPLIER_STRUCTURE_ID : 241392019 | NIH Clinical Collection via PubChem |
PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Enamine; SUPPLIER_STRUCTURE_ID: 241392019 | NIH Clinical Collection via PubChem |
PUBCHEM_PATENT_ID | US5356896; US6124340 | IBM Patent Data |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HMDH-2-E | HMG-CoA Reductase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3 | 0.40 | Binding ≤ 10μM |
HMDH-2-E | HMG-CoA Reductase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 32 | 0.35 | Binding ≤ 10μM |
Z50597-1-O | Rattus Norvegicus (cluster #1 Of 12), Other | Other | 4 | 0.39 | Functional ≤ 10μM |
Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 28 | 0.35 | Functional ≤ 10μM |
Z81020-7-O | HepG2 (Hepatoblastoma Cells) (cluster #7 Of 8), Other | Other | 79 | 0.33 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
HMDH_RAT | P51639 | HMG-CoA Reductase, Rat | 3 | 0.40 | Binding ≤ 1μM |
HMDH_HUMAN | P04035 | HMG-CoA Reductase, Human | 28 | 0.35 | Binding ≤ 1μM |
HMDH_RAT | P51639 | HMG-CoA Reductase, Rat | 3 | 0.40 | Binding ≤ 10μM |
HMDH_HUMAN | P04035 | HMG-CoA Reductase, Human | 28 | 0.35 | Binding ≤ 10μM |
Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 28 | 0.35 | Functional ≤ 10μM |
Z50597 | Z50597 | Rattus Norvegicus | 142 | 0.32 | Functional ≤ 10μM |
Description | Species |
---|---|
Activation of gene expression by SREBF (SREBP) | |
Cholesterol biosynthesis | |
PPARA activates gene expression |