MYCOPHENOLIC ACID

Search structure


Trade Names:	MYCOPHENOLIC ACID MYFORTIC
Synonyms:	68618 Mycophenolate Mycophenolate mofetil impurity, mycophenolic acid- Mycophenolic acid Myfortic NSC-129185 RS-61443 [AS MOFETIL]
Status:	Approved (2004)
Entry Type:	Small molecule
Molecule Category:	Parent
ATC:	L04AA06
UNII:	HU9DX48N0T

Structure


InChI Key	HPNSFSBZBAHARI-RUDMXATFSA-N
Smile	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)O)C(=O)OC2
InChI	InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C17H20O6
Molecular Weight	320.34
AlogP	2.73
Hydrogen Bond Acceptor	5.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	6.0
Polar Surface Area	93.06
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	23.0

Pharmacology

Action	Mechanism of Action	Reference
INHIBITOR	Inosine-5'-monophosphate dehydrogenase (IMPDH) inhibitor	DailyMed

	Primary Target
inosine monophosphate dehydrogenase 1
inosine monophosphate dehydrogenase 2

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-
Enzyme Oxidoreductase	-	11-1500	-	33-40	100-100
Enzyme Transferase	-	-	-	1500-2000	-
Epigenetic regulator Eraser Histone deacetylase HDAC class I	-	-	-	-	3
Epigenetic regulator Eraser Histone deacetylase HDAC class IIa	-	-	-	-	3
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb	-	-	-	-	3
Epigenetic regulator Eraser Histone deacetylase HDAC class IV	-	-	-	-	3
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3	-	-	-	-	74
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	100

Indications

Mesh Heading	Maximum Phase	Mesh ID	Reference
Graft vs Host Disease	3	D006086	ClinicalTrials
Lupus Erythematosus, Systemic	3	D008180	ClinicalTrials
Nephrotic Syndrome	3	D009404	ClinicalTrials
Lupus Nephritis	3	D008181	ClinicalTrials
Uveitis, Intermediate	3	D015867	ClinicalTrials
Graft vs Host Disease	3	D006086	ClinicalTrials
Diabetes Mellitus, Type 1	3	D003922	ClinicalTrials
Renal Insufficiency, Chronic	2	D051436	ClinicalTrials
Leukemia, Myeloid, Acute	2	D015470	ClinicalTrials
Crohn Disease	2	D003424	ClinicalTrials
Dry Eye Syndromes	2	D015352	ClinicalTrials
Scleroderma, Systemic	1	D012595	ClinicalTrials

Related Entries

MCS

Target Level :

Level 3

Level 4

Level 5

Level 6

Extend :

Indication

Mechanism of Action

Primary Target

Target Level

Adverse Reactions

SOC By Demographic Distribution

System Organ Classification (SOC)

	Relative Frequency (%)
Investigations	15.87
General disorders and administration site conditions	8.92
Infections and infestations	8.58
Renal and urinary disorders	8.28
Gastrointestinal disorders	7.69
Injury, poisoning and procedural complications	7.46
Respiratory, thoracic and mediastinal disorders	7.25
Metabolism and nutrition disorders	4.62
Vascular disorders	4.18
Nervous system disorders	3.98
Blood and lymphatic system disorders	3.66
Cardiac disorders	3.53
Musculoskeletal and connective tissue disorders	2.94
Immune system disorders	2.62
Hepatobiliary disorders	2.44
Skin and subcutaneous tissue disorders	2.05

Cross References

Resources	Reference
CAS NUMBER	24280-93-1
ChEBI	168396
ChEMBL	CHEMBL866
DrugBank	DB01024
DrugCentral	1860
EPA CompTox	DTXSID4041070
FDA SRS	HU9DX48N0T
Human Metabolome Database	HMDB0015159
Guide to Pharmacology	6832
KEGG	C20380
PDB	MOA
PharmGKB	PA164748728
PubChem	446541
SureChEMBL	SCHEMBL4549
ZINC	ZINC000000001758

CONTENTS