MYCOPHENOLATE MOFETIL

/static/temp/default.svg

Search structure


Trade Names	CELLCEPT MYCOPHENOLATE MOFETIL
Synonyms	Arzip Cellcept Myclausen Mycophenolate mofetil Mycophenolic acid 2-(4-morpholinyl)ethyl ester Mycophenylate mofetil Myfenax NSC-724229 NSC-758905 RS-61443
Status
Molecule Category	UNKNOWN
UNII	9242ECW6R0
EPA CompTox	DTXSID3023340


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	RTGDFNSFWBGLEC-SYZQJQIISA-N
Smiles	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2
InChI	InChI=1S/C23H31NO7/c1-15(5-7-19(25)30-13-10-24-8-11-29-12-9-24)4-6-17-21(26)20-18(14-31-23(20)27)16(2)22(17)28-3/h4,26H,5-14H2,1-3H3/b15-4+

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H31NO7
Molecular Weight	433.5
AlogP	2.52
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	94.53
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	31.0

Pharmacology

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


Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH) Description: Inosine-5'-monophosphate dehydrogenase 2 Organism : Homo sapiens P12268 ENSG00000178035











Protein: Inosine-5'-monophosphate dehydrogenase (IMPDH) Description: Inosine-5'-monophosphate dehydrogenase 1 Organism : Homo sapiens P20839 ENSG00000106348

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Primary active transporter ATP-binding cassette ABCB subfamily	-	76000	-	-	-
Transporter Primary active transporter ATP-binding cassette ABCC subfamily	-	83000	-	-	-

Related Entries

--- ---

Cross References

Resources	Reference
ChEBI	8764
ChEMBL	CHEMBL1456
DrugBank	DB00688
DrugCentral	1859
FDA SRS	9242ECW6R0
Human Metabolome Database	HMDB0014826
Guide to Pharmacology	6831
KEGG	C07908
PharmGKB	PA450566
PubChem	5281078
SureChEMBL	SCHEMBL4195
ZINC	ZINC000021297660

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).