NAV

Modithromycin

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

Identification

Generic Name
Modithromycin
DrugBank Accession Number
DB16238
Background

Modithromycin is under investigation in clinical trial NCT00270517 (Comparative Study of EDP-420 Versus Another Antibiotic in the Treatment of Community Acquired Pneumonia).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 841.016
Monoisotopic: 840.463306905
Chemical Formula
C43H64N6O11
Synonyms
  • Modithromycin
External IDs
  • EDP-013420
  • EDP-420
  • EP-13420
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9MAY4E090U
CAS number
736992-12-4
InChI Key
WLGSYOKBEDVHQB-XSKCQLPHSA-N
InChI
InChI=1S/C43H64N6O11/c1-12-33-43(9,54)39-26(4)35(46-29(7)50)24(2)19-42(8,56-23-31(22-55-39)47-57-21-30-14-15-34(44-20-30)49-17-13-16-45-49)38(27(5)36(51)28(6)40(53)59-33)60-41-37(52)32(48(10)11)18-25(3)58-41/h13-17,20,24-28,32-33,37-39,41,52,54H,12,18-19,21-23H2,1-11H3/b46-35+,47-31+/t24-,25-,26+,27+,28-,32+,33-,37-,38-,39-,41+,42-,43-/m1/s1
IUPAC Name
N-[(1R,2R,3R,6R,8R,9R,10R,13E,16S,17E,18R)-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-3-ethyl-2-hydroxy-2,6,8,10,16,18-hexamethyl-5,7-dioxo-13-({[6-(1H-pyrazol-1-yl)pyridin-3-yl]methoxy}imino)-4,11,15-trioxabicyclo[8.5.4]nonadecan-17-ylidene]acetamide
SMILES
[H][C@@]1(O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@](C)(O)[C@@H]2OC\C(CO[C@]1(C)C[C@@H](C)\C(=N/C(C)=O)[C@@H]2C)=N/OCC1=CN=C(C=C1)N1C=CC=N1

References

General References
Not Available
ChemSpider
23319871
ChEMBL
CHEMBL263886
ZINC
ZINC000169360219

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Unknown StatusTreatmentCommunity Acquired Pneumonia (CAP)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
Water Solubility0.0895 mg/mLALOGPS
logP3.52ALOGPS
logP3.65Chemaxon
logS-4ALOGPS
pKa (Strongest Acidic)8.65Chemaxon
pKa (Strongest Basic)9.25Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count15Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area205.72 Å2Chemaxon
Rotatable Bond Count8Chemaxon
Refractivity219.95 m3·mol-1Chemaxon
Polarizability89.85 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0000000190-150a0e10b4233e3d242a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0200000490-400b3349eace95f788ba
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0597-1600001490-2a9bf0da306398b7e950
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0079-1900002660-4a60e15b8ee29c179a16
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0901-0900000120-50e087eb71eb8d9ae4e9
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00gi-3900001350-7b08b099a9b650f62bea
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:16 / Updated at February 21, 2021 18:55