Manitimus

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
Manitimus
Accession Number
DB06481
Type
Small Molecule
Groups
Investigational
Description

FK778, a novel compound with multiple mechanisms of action, is efficacious, well tolerated and safe in kidney transplant patients, potentially offering a breakthrough in immunosuppressive therapy.

Structure
Thumb
Synonyms
Not Available
External IDs
FK-778 / FK778 / HMR 1715 / HMR-1715 / MNA-715
Categories
UNII
4B135RK2KL
CAS number
202057-76-9
Weight
Average: 308.26
Monoisotopic: 308.077262091
Chemical Formula
C15H11F3N2O2
InChI Key
IRELROQHIPLASX-SEYXRHQNSA-N
InChI
InChI=1S/C15H11F3N2O2/c1-2-3-4-13(21)12(9-19)14(22)20-11-7-5-10(6-8-11)15(16,17)18/h1,5-8,21H,3-4H2,(H,20,22)/b13-12-
IUPAC Name
(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide
SMILES
O\C(CCC#C)=C(\C#N)C(=O)NC1=CC=C(C=C1)C(F)(F)F

Pharmacology

Indication

Investigated for use/treatment in immunosuppressive and transplant (rejection).

Pharmacodynamics
Not Available
Mechanism of action

FK778 exerts its immunosuppressive activity at the molecular level via the suppression of de-novo pyrimidine biosynthesis, inhibiting the action of dihydroorotate dehydrogenase, an enzyme critical in the process, and consequently inhibiting cell proliferation.

TargetActionsOrganism
UDihydroorotate dehydrogenase (quinone), mitochondrialNot AvailableHumans
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
21378746

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentGrafting, Kidney / Transplantation, Kidney / Transplantation, Renal1
2CompletedTreatmentTransplantation, Liver1
2TerminatedTreatmentBK Polyomavirus / Kidney Diseases1
2TerminatedTreatmentTransplantation, Kidney1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.012 mg/mLALOGPS
logP2.54ALOGPS
logP2.74ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)5.22ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area73.12 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity76.58 m3·mol-1ChemAxon
Polarizability27.88 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Taxonomy

Classification
Not classified

Targets

Kind
Protein
Organism
Humans
Pharmacological action
Unknown
General Function
Ubiquinone binding
Specific Function
Catalyzes the conversion of dihydroorotate to orotate with quinone as electron acceptor.
Gene Name
DHODH
Uniprot ID
Q02127
Uniprot Name
Dihydroorotate dehydrogenase (quinone), mitochondrial
Molecular Weight
42866.93 Da

Drug created on March 19, 2008 10:34 / Updated on September 02, 2019 18:20