NAV

Dersimelagon

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

Identification

Generic Name
Dersimelagon
DrugBank Accession Number
DB18007
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 675.766
Monoisotopic: 675.329534213
Chemical Formula
C36H45F4N3O5
Synonyms
  • 1-(2-((3s,4r)-1-((3r,4r)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl)-4-(methoxymethyl)pyrrolidin-3-yl)-5-(trifluoromethyl)phenyl)piperidine-4-carboxylic acid
  • 4-piperidinecarboxylic acid, 1-(2-((3s,4r)-1-(((3r,4r)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)-3-pyrrolidinyl)carbonyl)-4-(methoxymethyl)-3-pyrrolidinyl)-5- (trifluoromethyl)phenyl)-
External IDs
  • MT 7117
  • MT-7117
  • MT7117
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
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

Adverse Effects
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Toxicity

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

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
1CWH5SV4G2
CAS number
1835256-48-8
InChI Key
MUNWOYRHJPWQNE-GMFUQMJFSA-N
InChI
InChI=1S/C36H45F4N3O5/c1-47-21-25-18-42(19-30(25)29-12-9-26(36(38,39)40)17-32(29)41-15-13-24(14-16-41)33(44)45)34(46)35(37)22-43(27-5-3-4-6-27)20-31(35)23-7-10-28(48-2)11-8-23/h7-12,17,24-25,27,30-31H,3-6,13-16,18-22H2,1-2H3,(H,44,45)/t25-,30-,31-,35-/m1/s1
IUPAC Name
1-{2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-(trifluoromethyl)phenyl}piperidine-4-carboxylic acid
SMILES
COC[C@H]1CN(C[C@@H]1C1=CC=C(C=C1N1CCC(CC1)C(O)=O)C(F)(F)F)C(=O)[C@]1(F)CN(C[C@H]1C1=CC=C(OC)C=C1)C1CCCC1

References

General References
Not Available
ChemSpider
81367568
ChEMBL
CHEMBL4802160

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentEPP / X-linked Lymphoproliferative Disease (XLP)1
3CompletedTreatmentEPP / X-linked Lymphoproliferative Disease (XLP)1
3RecruitingTreatmentErythropoietic Protoporphyria (EPP) / X-Linked Protoporphyria (XLP)1
2CompletedTreatmentDiffuse Cutaneous Systemic Sclerosis1
2CompletedTreatmentErythropoietic Protoporphyria (EPP)1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
logP2.33Chemaxon
pKa (Strongest Acidic)3.01Chemaxon
pKa (Strongest Basic)8.7Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area82.55 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity174.23 m3·mol-1Chemaxon
Polarizability69.63 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 06, 2023 20:46 / Updated at September 07, 2023 18:09