Details of the Drug-Related molecule(s) Expression Atlas

General Information of Drug (ID: DM30SGU)

Drug Name

Simvastatin Drug Info

Synonyms

Cholestat; Coledis; Colemin; Corolin; Denan; Labistatin; Lipex; Lipovas; Lodales; Medipo; Nivelipol; Pantok; Rendapid; Simovil; Simvastatina; Simvastatine; Simvastatinum; Sinvacor; Sivastin; Synvinolin; Vasotenal; Zocor; Zocord; Simvast CR; Simvastatina [Spanish]; Simvastatine [French]; Simvastatinum [Latin]; MK 0733; MK 733; MK733; TNP00259; DRG-0320; KS-1113; L 644128-000U; MK-0733; MK-733; Simcard (TN); Simlup (TN); Simvacor (TN); Simvastatin & Primycin; Simvastatin, Compactin; Zocor (TN); Simvastatin [USAN:INN:BAN]; Simvastatin (JAN/USP/INN); Zocor, Simlup, Simcard, Simvacor, Simvoget, Zorced, Simvastatin; [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] 2,2-dimethylbutanoate; Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; Butanoic acid, 2,2-dimethyl-, (1S,3R,7S,8S,*aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-(2-((2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)ethyl)-1-naphthalenyl ester; (1S,3R,7S,8S,8aR)-8-{2-[(2R,4R)-4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl]ethyl}-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2,2-dimethylbutanoate; Butanoic acid, 2,2-dimethyl-,1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-(tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl)-ethyl]-1-naphthalenyl ester, [1S-[1 alpha,3 alpha,7 beta,8 beta(2S*,4S*),-8a beta; 2,2-Dimethylbutanoic acid (1S,3R,7S,8S,8aR)-1,2,3,7,8,8a-hexahydro-3,7-dimethyl-8-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-1-naphthalenyl ester; 2,2-Dimethylbutyric acid, 8-ester with (4R,6R)-6-(2-((1S,2S,6R,8S,8aR)-1,2,6,7,8,8a-hexahydro-8-hydroxy-2,6-dimethyl-1-naphthyl)ethyl)tetrahydro-4-hydroxy-2H-pyran-2-one

Indication

Disease Entry	ICD 11	Status	REF
Arteriosclerosis	BD40	Approved	[1]
Atherosclerosis	BD40	Approved	[1]
Coronary heart disease	BA80.Z	Approved	[1]
Cystic fibrosis	CA25	Approved	[1]
Depression	6A70-6A7Z	Approved	[1]
Hypercholesterolaemia	5C80.0	Approved	[2]
Hyperlipidemia	5C80.Z	Approved	[1]
Hyperlipidemia, familial combined, LPL related		Approved	[1]
Hypertriglyceridemia	5C80.1	Approved	[1]
Pneumonia	CA40	Approved	[1]
Primary hypercholesterolemia	5C80.00	Approved	[1]
Prostate carcinoma		Approved	[1]
Rhinitis	FA20	Approved	[1]
Type-1/2 diabetes	5A10-5A11	Approved	[1]
Stroke	8B20	Investigative	[1]

Therapeutic Class

Anticholesteremic Agents

Cross-matching ID

PubChem CID: 54454
ChEBI ID: CHEBI:9150
CAS Number: CAS 79902-63-9
TTD Drug ID: DM30SGU
VARIDT Drug ID: DR00435
INTEDE Drug ID: DR1485
ACDINA Drug ID: D00625

Molecule(s) Related to This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
HMG-CoA reductase (HMGCR)	TTPADOQ	HMDH_HUMAN	Inhibitor	[3]

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Drug Transporter (DTP)

DTP Name	DTP ID	UniProt ID	Highest Status	REF
Breast cancer resistance protein (ABCG2)	DTI7UX6	ABCG2_HUMAN	Approved	[4]
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DT3D8F0	SO1B1_HUMAN	Approved	[5]
P-glycoprotein 1 (ABCB1)	DTUGYRD	MDR1_HUMAN	Approved	[6]

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Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	Highest Status	REF
Cytochrome P450 3A4 (CYP3A4)	DE4LYSA	CP3A4_HUMAN	Approved	[7]
Cytochrome P450 2D6 (CYP2D6)	DECB0K3	CP2D6_HUMAN	Approved	[8]
UDP-glucuronosyltransferase 1A1 (UGT1A1)	DEYGVN4	UD11_HUMAN	Approved	[9]
Mephenytoin 4-hydroxylase (CYP2C19)	DEGTFWK	CP2CJ_HUMAN	Approved	[9]
Cytochrome P450 3A5 (CYP3A5)	DEIBDNY	CP3A5_HUMAN	Approved	[10]
Cytochrome P450 2C8 (CYP2C8)	DES5XRU	CP2C8_HUMAN	Approved	[11]
UDP-glucuronosyltransferase 2B7 (UGT2B7)	DEB3CV1	UD2B7_HUMAN	Approved	[9]
UDP-glucuronosyltransferase 1A3 (UGT1A3)	DEF2WXN	UD13_HUMAN	Approved	[9]

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The Expression Level of Molecule(s) in Normal Tissue of Major ADME-Related Organs

Molecule	Molecule Type	Gene Name	Liver	Colon	Kidney	Small Intestine
HMG-CoA reductase (HMGCR)	DTT	HMGCR	6.357	6.256	5.17	6.85
P-glycoprotein 1 (ABCB1)	DTP	P-GP	7.009	6.988	7.442	8.135
Breast cancer resistance protein (ABCG2)	DTP	BCRP	6.732	7.513	6.326	9.277
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DTP	OATP1B1	9.79	0.485	3.511	2.07
Cytochrome P450 2C8 (CYP2C8)	DME	CYP2C8	9.791	3.744	3.413	1.609
Cytochrome P450 3A5 (CYP3A5)	DME	CYP3A5	10.08	7.207	5.403	9.211
Mephenytoin 4-hydroxylase (CYP2C19)	DME	CYP2C19	7.867	5.142	5.52	7.08
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	3.307	5.005	3.921	5.327
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	11.692	6.58	4.984	9.089

Molecule Expression Atlas in Normal Tissue of Major ADME-related organs

The Expression Level of Molecule(s) between Disease Section and Healthy Individual Tissue

The Studied Disease

Arteriosclerosis

ICD Disease Classification

BD40

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
HMG-CoA reductase (HMGCR)	DTT	HMGCR	1.01E-05	0.65	1.53
P-glycoprotein 1 (ABCB1)	DTP	P-GP	3.29E-14	-7.08E-01	-1.99E+00
Breast cancer resistance protein (ABCG2)	DTP	BCRP	2.28E-08	-3.66E-01	-8.07E-01
Organic anion transporting polypeptide 1B1 (SLCO1B1)	DTP	OATP1B1	3.27E-01	-5.78E-02	-3.84E-01
UDP-glucuronosyltransferase 1A1 (UGT1A1)	DME	UGT1A1	2.00E-01	5.79E-02	3.00E-01
Cytochrome P450 2C8 (CYP2C8)	DME	CYP2C8	1.47E-02	-1.13E-01	-1.13E+00
Cytochrome P450 3A5 (CYP3A5)	DME	CYP3A5	3.65E-02	-8.90E-02	-5.58E-01
Mephenytoin 4-hydroxylase (CYP2C19)	DME	CYP2C19	4.03E-02	-1.19E-01	-5.11E-01
Cytochrome P450 2D6 (CYP2D6)	DME	CYP2D6	5.05E-04	-1.51E-01	-8.87E-01
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	3.24E-05	-3.48E-01	-1.34E+00

Molecular Expression Atlas between Disease Section and Healthy Individual Tissue

References

1	Simvastatin FDA Label
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11	Drug interactions with lipid-lowering drugs: mechanisms and clinical relevance. Clin Pharmacol Ther. 2006 Dec;80(6):565-81.