iGMDRD76
Canonical SMILES: CCC(C)(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
InChI: InChI=1S/C25H38O5/c1-6-25(4,5)24(28)30-21-12-15(2)11-17-8-7-16(3)20(23(17)21)10-9-19-13-18(26)14-22(27)29-19/h7-8,11,15-16,18-21,23,26H,6,9-10,12-14H2,1-5H3/t15-,16-,18+,19+,20-,21-,23-/m0/s1
InChI Key: RYMZZMVNJRMUDD-HGQWONQESA-N
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Standard Name | CHEMBL | Pubchem CID | KEGG Drug ID | DRUGBANK ID | Drug Status | Drug targets (TTD) | Drug Type |
---|---|---|---|---|---|---|---|
Standard NameSimvastatin CHEMBLCHEMBL1064 Pubchem CID54454 KEGG Drug IDD00434 DRUGBANK IDDB00641 Drug StatusAlone Drug targets (TTD)DAP001519 Drug TypeSmall Molecule |
Drug Class:
Alimentary Tract and MetabolismAnticholesteremic AgentsCardiovascular SystemCYP3A Substrates (Sensitive)Cytochrome P-450 CYP3A SubstratesCytochrome P-450 CYP3A4 SubstratesCytochrome P-450 CYP3A5 SubstratesCytochrome P-450 CYP3A7 SubstratesCytochrome P-450 Enzyme InducersCytochrome P-450 Enzyme InhibitorsDrugs Used in DiabetesEnzyme InhibitorsHydrocarbonsHydrocarbons, AromaticHydrocarbons, CyclicHydroxymethylglutaryl-CoA Reductase InhibitorsHypolipidemic AgentsLipid Modifying AgentsLipid Modifying Agents, PlainLipid Regulating AgentsLovastatinNaphthalenesNoxaeOATP1B1/SLCO1B1 SubstratesP-glycoprotein/ABCB1 InhibitorsP-glycoprotein/ABCB1 SubstratesPolycyclic CompoundsPolycyclic Hydrocarbons, AromaticToxic ActionsUGT1A1 SubstratesDrug Pathways:
Terpenoid backbone biosynthesisDrug-model tissue-cancer distribution: Bubble Plot
Drug-gene pathway enrichments
Drug-gene GO enrichments
Drug-Gene: Aster Plot
Gene in drug-gene network: Network Plot

Models in Simvastatin
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Model | Level | Reference ID | Tissue | Cancer | Drug | Clinical Response | Source | |
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No matching records found |