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Compound Detail

CHEMBL54440

MEVASTATIN
🧪 Phase II
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🧪 Phase II
CC[C@H](C)C(=O)O[C@H]1CCC=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL54440
Name MEVASTATIN
Phase Phase II
Structure Type MOL
InChI Key AJLFOPYRIVGYMJ-INTXDZFKSA-N

Known Names

Compactin CS-500 CS500 L-637312 L637312 Mevastatin Mevastatina Mevastatine ML-236B LACTONE ML236B LACTONE NSC-281245 NSC-759322 +1 more
9
Targets
24
Activities
3
Assay Types
0
PK Parameters
20
Publications
13
Known Names

Molecular Properties

390.5
MW (Da)
3.95
ALogP
5
HBA
1
HBD
72.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product
USAN Stem -stat-

Extended Properties

Molecular Formula C23H34O5
MW 390.52
Aromatic Rings 0
Heavy Atoms 28
NP-Likeness 2.47

Activity Summary

IC50 21 meas. best 8.0
EC50 2 meas. best 6.85
Ki 1 meas. best 8.85

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
3-hydroxy-3-methylglutaryl-coenzyme A reductase
CHEMBL3247
 Ki 8.85 8.85 1.4 1
3-hydroxy-3-methylglutaryl-coenzyme A reductase
CHEMBL3247
 IC50 8.0 7.3391 10.0 11
3-hydroxy-3-methylglutaryl-coenzyme A reductase
CHEMBL402
 IC50 7.64 7.4375 23.0 4
Rattus norvegicus
CHEMBL376
 IC50 7.52 7.52 30.0 1
NON-PROTEIN TARGET
CHEMBL3879801
 EC50 6.85 6.85 142.0 1
Trypanosoma brucei brucei
CHEMBL612851
 IC50 6.03 6.03 940.0 1
dengue virus type 2
CHEMBL613966
 EC50 5.74 5.74 1820.0 1
DLD-1
CHEMBL614285
 IC50 5.5 5.5 3200.0 1
HCT-116
CHEMBL394
 IC50 4.73 4.73 18600.0 1
Bile salt export pump
CHEMBL6020
 IC50 4.57 4.57 27000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
3-hydroxy-3-methylglutaryl-coenzyme A reductase Ki = 1.4 nM 8.85 Binding affinity against HMG-CoA reductase in rat liver microsomes 3656359
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 10.0 nM 8.0 In vitro inhibitory activity against HMG CoA reductase 3973903
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 13.0 nM 7.89 Inhibition of HMG-CoA reductase in rat liver microsomes 3656359
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 23.0 nM 7.64 Inhibitory concentration against 3-hydroxy-3-methylglutaryl-CoA reductase 15686906
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 23.0 nM 7.64 Inhibition of HMG-CoA Reductase (unknown origin) 31188592
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 25.0 nM 7.6 Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (... 2296019
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 25.12 nM 7.6 Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition ... 2296019
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 25.12 nM 7.6 Ability to inhibit HMG-CoA reductase (HMGR) by CoA reductase inhibition screen (... 2296019
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 25.0 nM 7.6 Compound was evaluated for the inhibition of HMG-CoA reductase (COR) in rats. 1992138
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 26.0 nM 7.58 Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition ... 2296019
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 28.4 nM 7.55 The compound was tested in vitro for inhibitory activity against HMG-CoA reducta... 1433193
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 30.0 nM 7.52 Inhibition of HMG-CoA reductase activity in partially purified rat liver 1992137
Rattus norvegicus IC50 = 30.0 nM 7.52 Compound was tested for its Cholesterol Synthesis Inhibition ability in rats. 1992138
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 40.0 nM 7.4 Inhibition of rat HMG-CoA reductase using 0.37 MBq DL-[3-14C]HMG-CoA 19502059
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 119.0 nM 6.92 DRUGMATRIX: HMG-CoA Reductase enzyme inhibition (substrate: [14C]HMG-CoA) -
NON-PROTEIN TARGET EC50 = 142.0 nM 6.85 Antiproliferative activity against mouse neural precursor cells by MTT assay 17417631
Trypanosoma brucei brucei IC50 = 940.0 nM 6.03 Antitrypanosomal activity against bloodstream form of Trypanosoma brucei brucei ... 23927763
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 1000.0 nM 6.0 Inhibition of HMG-CoA reductase from rat liver 3989819
3-hydroxy-3-methylglutaryl-coenzyme A reductase IC50 = 1150.0 nM 5.94 Tested in vitro for the HMG-CoA reductase inhibitory activity in a microsomal pr... -
dengue virus type 2 EC50 = 1820.0 nM 5.74 Antiviral activity against Dengue virus 2 NGC infected in human A549 cells asses... 26771861

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL3885881 Rattus norvegicus 274
- 10.5281/zenodo.13943903 ADMET 89
19219049 10.1038/nchembio.149 Unchecked 42
17502414 10.1128/aac.01330-06 Plasmodium falciparum 6
2296019 10.1021/jm00163a005 3-hydroxy-3-methylglutaryl-coenzyme A reductase 5
3981532 10.1021/jm00382a001 Homo sapiens 5
- 10.6019/CHEMBL4495565 SARS-CoV-2 4
3989819 10.1021/jm50001a011 Rattus norvegicus 3
12596845 10.1271/bbb.66.2537 Nicotiana tabacum 3
3656359 10.1021/jm00393a030 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2
- 10.1016/S0960-894X(97)00065-6 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2
- 10.1016/S0960-894X(97)00065-6 Rattus norvegicus 2
1992138 10.1021/jm00105a057 Rattus norvegicus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 2
3989819 10.1021/jm50001a011 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2
10579872 10.1021/np990303a Unchecked 2
3973903 10.1021/jm00381a014 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
1992137 10.1021/jm00105a056 3-hydroxy-3-methylglutaryl-coenzyme A reductase 2

Data from ChEMBL 36 via Core Engine