MYCOPHENOLATE MOFETIL HYDROCHLORIDE

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Search structure


Trade Names	CELLCEPT MYCOPHENOLATE MOFETIL HYDROCHLORIDE
Synonyms	Cellcept Mycophenolate mofetil hcl Mycophenolate mofetil hydrochloride RS-61443-190
Status
Molecule Category	Salt-form
UNII	UXH81S8ZVB
Parent Compound:


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

Structure


InChI Key	OWLCGJBUTJXNOF-HDNKIUSMSA-N
Smiles	COc1c(C)c2c(c(O)c1C/C=C(\C)CCC(=O)OCCN1CCOCC1)C(=O)OC2.Cl
InChI	InChI=1S/C23H31NO7.ClH/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;1H/b15-4+;

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C23H32ClNO7
Molecular Weight	469.96
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

Bioactivity

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

Cross References

Resources	Reference
ChEMBL	CHEMBL1200955
FDA SRS	UXH81S8ZVB
PubChem	6441022
SureChEMBL	SCHEMBL1649352

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).