General Information of the Compound
Compound ID
CP0005348
Compound Name
LOVASTATIN
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Synonyms
Altocor
2beta,6alpha-Dimethyl-8alpha-(2-methyl-1-oxobutoxy)-mevinic acid lactone
6 Methylcompactin
6 alpha-Methylcompactin
6-Methylcompactin
6-alpha-Methylcompactin
6alpha-Methylcompactin
75330-75-5
Advicor (TN)
Altocor
Altocor (TN)
Altoprev
Altoprev (TN)
Artein
Aspirin/lisinopril/ lovastatin fixed-dose combination
Belvas
Cholestra
Closterol
Colevix
Hipolip
Hipovastin
L-154803
Lestatin
Lipdip
Lipivas
Lipofren
Liposcler
Lovalip
Lovalord
Lovastatin
Lovastatin & Primycin
Lovastatin (USP/INN)
Lovastatin [USAN:BAN:INN]
Lovastatin, (1 alpha(S*))-Isomer
Lovastatin, 1 alpha-Isomer (without R*/S* notation)
Lovastatina
Lovastatina [Spanish]
Lovastatine
Lovastatine [French]
Lovastatinum
Lovastatinum [Latin]
Lovasterol
Lovastin
Lozutin
MK 803
MK-803
MK803
ML-530B
MSD 803
Mevacor
Mevacor (TN)
Mevinacor
Mevinolin
Mevinolin from Aspergillus sp
Mevlor
Monacolin K
Monakolin K
Nergadan
Paschol
Rextat
Rodatin
Rovacor
Sivlor
Sivlor;Taucor
Statosan (TN)
Taucor
Tecnolip
Teroltrat
UNII-9LHU78OQFD
lovastatin
mevinolin
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Structure
Formula
C24H36O5
Molecular Weight
404.547
Canonical SMILES
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12
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InChI
InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4H3/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1
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InChIKey
PCZOHLXUXFIOCF-BXMDZJJMSA-N
CAS
74133-25-8
81739-26-6
75330-75-5
71949-96-7
Physicochemical Property
logP
4.1955
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
72.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
29

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 53232
SID: 14879393
ChEMBL ID
CHEMBL503
DrugBank ID
DB00227
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT02011, 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  2
1
IC50 = 29.5 nM
   TI
   LI
   LO
   TS
2
IC50 = 19800 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  2
1
IC50 = 37 nM
   TI
   LI
   LO
   TS
2
IC50 = 50 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2 nM
2 IC50 = 2.2 nM
3 IC50 = 20 nM
4 IC50 = 29.5 nM
5 IC50 = 20100 nM
6 Ki = 0.6 nM
Protein ID: PT01546, ATP-dependent translocase ABCB1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 10000 nM
   TI
   LI
   LO
   TS
CL000167 NIH-3T3-G185 Mus musculus (Mouse)  1
1
IC50 = 32700 nM
   TI
   LI
   LO
   TS
Protein ID: PT04542, Bile salt export pump
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 19300 nM
   TI
   LI
   LO
   TS
Protein ID: PT03788, Intercellular adhesion molecule 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000040 THP-1 Homo sapiens (Human)  1
1
IC50 = 19775.05871 nM
   TI
   LI
   LO
   TS
Protein ID: PT03566, Solute carrier organic anion transporter family member 1B1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 28000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Lovastatin )
Drug Name Lovastatin
Company Atos Pharma
Indication
Hypercholesterolaemia
Approved
Cardiovascular disease
Phase 3
Target(s)
HMG-CoA reductase (HMGCR)
Inhibitor