PITAVASTATIN CALCIUM

Search structure


Trade Names:	LIVALO PITAVASTATIN CALCIUM
Synonyms:	Itavastatin calcium Livalo NK-104 Pitavastatin calcium Pitavastatin Calcium Pitavastatin calcium salt
Status:	Approved (2009)
Entry Type:	Small molecule
Molecule Category:	Salt
UNII:	IYD54XEG3W
Parent Compound:	PITAVASTATIN

Structure


InChI Key	RHGYHLPFVJEAOC-FFNUKLMVSA-L
Smile	O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1.[Ca+2]
InChI	InChI=1S/2C25H24FNO4.Ca/c226-17-9-7-15(8-10-17)24-20-3-1-2-4-22(20)27-25(16-5-6-16)21(24)12-11-18(28)13-19(29)14-23(30)31;/h21-4,7-12,16,18-19,28-29H,5-6,13-14H2,(H,30,31);/q;;+2/p-2/b212-11+;/t218-,19-;/m11./s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C50H46CaF2N2O8
Molecular Weight	881.0
AlogP	4.52
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	3.0
Number of Rotational Bond	8.0
Polar Surface Area	90.65
Molecular species	ACID
Aromatic Rings	3.0
Heavy Atoms	31.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	HMG-CoA reductase inhibitor	FDA

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Oxidoreductase	-	10550	-	-	-
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 2 Nuclear hormone receptor subfamily 2 group B Nuclear hormone receptor subfamily 2 group B member 1	-	-	13300	-	-

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Lipid Metabolism Disorders	3	D052439	ClinicalTrials
Hypercholesterolemia	3	D006937	ClinicalTrials

Related Entries

Scaffolds

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend network:

Indication

Mechanism of Action

Primary Target

Target Level

Parent

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
Musculoskeletal and connective tissue disorders	18.46
Nervous system disorders	11.32
General disorders and administration site conditions	11.27
Gastrointestinal disorders	9.3
Injury, poisoning and procedural complications	6.04
Skin and subcutaneous tissue disorders	5.96
Investigations	5.62
Respiratory, thoracic and mediastinal disorders	4.95
Psychiatric disorders	4.55
Cardiac disorders	4.1
Vascular disorders	3.88
Immune system disorders	2.47
Metabolism and nutrition disorders	2.22
Renal and urinary disorders	2.08

Cross References

Resources	Reference
ChEBI	71258
ChEMBL	CHEMBL1237061
EPA CompTox	DTXSID4046448
FDA SRS	IYD54XEG3W
KEGG	D01862
PubChem	5282451
SureChEMBL	SCHEMBL22720
ZINC	ZINC01534965

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