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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

Standard Name	CHEMBL	Pubchem CID	KEGG Drug ID	DRUGBANK ID	Drug Status	Drug targets (TTD)	Drug Type
Simvastatin	CHEMBL1064	54454	D00434	DB00641	Alone	DAP001519	Small Molecule

Drug Class:

Alimentary Tract and Metabolism Anticholesteremic Agents Cardiovascular System CYP3A Substrates (Sensitive)Cytochrome P-450 CYP3A Substrates Cytochrome P-450 CYP3A4 Substrates Cytochrome P-450 CYP3A5 Substrates Cytochrome P-450 CYP3A7 Substrates Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Drugs Used in Diabetes Enzyme Inhibitors Hydrocarbons Hydrocarbons, Aromatic Hydrocarbons, Cyclic Hydroxymethylglutaryl-CoA Reductase Inhibitors Hypolipidemic Agents Lipid Modifying Agents Lipid Modifying Agents, Plain Lipid Regulating Agents Lovastatin Naphthalenes Noxae OATP1B1/SLCO1B1 Substrates P-glycoprotein/ABCB1 Inhibitors P-glycoprotein/ABCB1 Substrates Polycyclic Compounds Polycyclic Hydrocarbons, Aromatic Toxic Actions UGT1A1 Substrates

Drug Targets:

HMGCR (P04035)ITGB2 (P05107)ITGAL (P20701)

Drug Pathways:

Terpenoid backbone biosynthesis

Drug Synonyms:

Simvastatin (JP17/USP/INN)MK-733 Zocor (TN)

Drug-model tissue-cancer distribution: Bubble Plot

Drug-gene pathway enrichments

Drug-gene GO enrichments

Drug-Gene: Aster Plot

Gene ID	Gene Name	Model Num.
10903	MTMR11	3
8444	DYRK3	1
10987	COPS5	1
2200	FBN1	2
3845	KRAS	3
51347	TAOK3	2
7764	ZNF217	2
10395	DLC1	2
3066	HDAC2	2
7253	TSHR	3
577	ADGRB3	3
11122	PTPRT	2
5743	PTGS2	1
342977	NANOS3	2
4478	MSN	3
2045	EPHA7	3
287015	TRIM42	3
2778	GNAS	3
7010	TEK	1
1029	CDKN2A	2
58508	KMT2C	3
6092	ROBO2	3
23043	TNIK	2
4437	MSH3	2
57111	RAB25	1
5727	PTCH1	3
546	ATRX	3
56997	COQ8A	3
57144	PAK5	3
2318	FLNC	2
675	BRCA2	2
3065	HDAC1	3
5187	PER1	2
339345	NANOS2	2
65268	WNK2	2
867	CBL	1
6095	RORA	3
1869	E2F1	1
23090	ZNF423	3
5582	PRKCG	2
53904	MYO3A	1
55561	CDC42BPG	3
9659	PDE4DIP	3
9201	DCLK1	3
57448	BIRC6	3
22982	DIP2C	3
6778	STAT6	2
1030	CDKN2B	1
4330	MN1	3
23250	ATP11A	3
80781	COL18A1	1
5925	RB1	1
2065	ERBB3	1
142	PARP1	1
23072	HECW1	3
55746	NUP133	3
4763	NF1	3
57096	RPGRIP1	2
2044	EPHA5	2
5624	PROC	3

Gene in drug-gene network: Network Plot

Models in Simvastatin

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DATATYPES

CLASSFICATION

Disclaimer: iGMDR is intended for research purposes only. Its information cannot be used for emergencies or medical or professional advice.