Simvastatin

Basic Information


CAS ID: 79902-63-9
Molecular Formula: C25H38O5
Molecular Weight: 418.6 g/mol
Monoisotopic Mass: 418.2719 g/mol
Class: Small Molecule
Natural Product: No
Other Names: ZOCOR | LACERSA | SYNVINOLIN | Simvastatin hydroxy acid | ZOCOR HEART-PRO | FLOLIPID | SIMVASTATIN | RANZOLONT | SIMVADOR | MK-733
Analysis: Drug repositioning mechanism analysis

O O OH O O


Compound Structure and Identifier


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 See All
InChI Key: RYMZZMVNJRMUDD-HGQWONQESA-N
Smiles: CCC(C)(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 See All
Molfile: Download


Related Target


Target ID Name Interaction
T0495 3-hydroxy-3-methylglutaryl-coenzyme A reductase inhibitor

Related Fibrosis Property


Reference Record 1

PubMed ID 26417069 Target ID
Uniprot ID Name
Model vitro,mice Fibrosis Disease Muscle fibrosis
Process I attenue inflammation
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 2

PubMed ID 22525429 Target ID T0495
Uniprot ID 3-hydroxy-3-methylglutaryl-coenzyme A reductase Name 3-hydroxy-3-methylglutaryl-coenzyme A reductase
Model vitro,mice Fibrosis Disease Renal fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism Targeting HOXA13–USAG-1 pathway

Reference Record 3

PubMed ID 21844074 Target ID
Uniprot ID Name
Model vitro,rat Fibrosis Disease Cardiac fibrosis
Process I attenue inflammation
Process II EMT,cells proliferation
Process III prevenet collagen deposition
Mechanism

Reference Record 4

PubMed ID 20835264 Target ID
Uniprot ID Name
Model mice Fibrosis Disease Cardiac fibrosis
Process I
Process II
Process III prevenet collagen deposition
Mechanism

Reference Record 5

PubMed ID 15855201 Target ID
Uniprot ID Name
Model rat Fibrosis Disease Renal fibrosis
Process I attenue inflammation
Process II
Process III prevenet collagen deposition
Mechanism

Trial Record 1

ClinicalTrial ID NCT01092572 Disease Cystic fibrosis
Phase Phase 1,Phase 2 Status Withdrawn
First Received March 25, 2010 Last Verified January 30, 2014
Sponsor University of British Columbia

Trial Record 2

ClinicalTrial ID NCT00531882 Disease Cystic fibrosis
Phase Not Applicable Status Completed
First Received September 19, 2007 Last Verified October 5, 2017
Sponsor University Hospitals Cleveland Medical Center

Trial Record 3

ClinicalTrial ID NCT00255242 Disease Cystic fibrosis
Phase Phase 1 Status Completed
First Received November 18, 2005 Last Verified August 3, 2009
Sponsor Akron Children's Hospital

Trial Record 4

ClinicalTrial ID NCT02428374 Disease Cardiac fibrosis
Phase Phase 4 Status Recruiting
First Received April 28, 2015 Last Verified June 11, 2015
Sponsor Federal University of São Paulo

Trial Record 5

ClinicalTrial ID NCT03150459 Disease Liver fibrosis
Phase Phase 2 Status Completed
First Received May 12, 2017 Last Verified October 3, 2018
Sponsor Judit Pich

Trial Record 6

ClinicalTrial ID NCT02968810 Disease Liver fibrosis
Phase Phase 2 Status Recruiting
First Received November 21, 2016 Last Verified February 6, 2019
Sponsor National Cancer Institute (NCI)

Trial Record 7

ClinicalTrial ID NCT01282398 Disease Liver fibrosis
Phase Phase 4 Status Unknown
First Received January 25, 2011 Last Verified January 25, 2011
Sponsor Fundació Institut de Recerca de l'Hospital de la Santa Creu i Sant Pau

Trial Record 8

ClinicalTrial ID NCT01282385 Disease Liver fibrosis
Phase Phase 4 Status Unknown
First Received January 25, 2011 Last Verified January 25, 2011
Sponsor Fundació Institut de Recerca de l'Hospital de la Santa Creu i Sant Pau

Trial Record 9

ClinicalTrial ID NCT00594191 Disease Liver fibrosis
Phase Phase 2 Status Completed
First Received January 15, 2008 Last Verified January 15, 2008
Sponsor Hospital Clinic of Barcelona

Trial Record 10

ClinicalTrial ID NCT02134626 Disease Liver fibrosis
Phase Phase 3 Status Completed
First Received May 9, 2014 Last Verified May 9, 2014
Sponsor Universidade Federal do Rio de Janeiro

Trial Record 11

ClinicalTrial ID NCT01095185 Disease Liver fibrosis
Phase Phase 3 Status Completed
First Received March 30, 2010 Last Verified March 19, 2015
Sponsor Juan A. Arnaiz

Trial Record 12

ClinicalTrial ID NCT00399867 Disease Fibrosis
Phase Phase 2 Status Completed
First Received November 15, 2006 Last Verified December 20, 2006
Sponsor Ludwig-Maximilians - University of Munich

Related Link


PubChem: 54454
ChEMBL: CHEMBL1064