NAV

Nafithromycin

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

Identification

Generic Name
Nafithromycin
DrugBank Accession Number
DB16246
Background

Nafithromycin is under investigation in clinical trial NCT02903836 (Phase II Study of Oral Nafithromycin in CABP).

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 859.05
Monoisotopic: 858.419728014
Chemical Formula
C42H62N6O11S
Synonyms
  • Nafithromycin
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
75F74Y2R70
CAS number
1691240-78-4
InChI Key
RLFCSBSRGRJFRO-BRUOOUDCSA-N
InChI
InChI=1S/C42H62N6O11S/c1-13-28-42(9)30(29(39(53)58-42)35(43)47-59-25(7)36-45-46-37(60-36)26-16-14-15-17-44-26)22(4)31(49)20(2)19-41(8,54-12)34(23(5)32(50)24(6)38(52)56-28)57-40-33(51)27(48(10)11)18-21(3)55-40/h14-17,20-25,27-30,33-34,40,51H,13,18-19H2,1-12H3,(H2,43,47)/t20-,21-,22-,23+,24-,25+,27+,28?,29-,30+,33-,34-,40+,41-,42-/m1/s1
IUPAC Name
(Z,3R,3aS,4R,6R,8R,9R,10R,12R,15R,15aS)-9-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-15-ethyl-8-methoxy-4,6,8,10,12,15a-hexamethyl-2,5,11,13-tetraoxo-N'-[(1S)-1-[5-(pyridin-2-yl)-1,3,4-thiadiazol-2-yl]ethoxy]-tetradecahydro-2H-furo[2,3-c]oxacyclotetradecane-3-carboximidamide
SMILES
[H][C@]12[C@H](\C(N)=N\O[C@@H](C)C3=NN=C(S3)C3=CC=CC=N3)C(=O)O[C@]1(C)[C@@H](CC)OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@]1([H])O[C@H](C)C[C@@H]([C@H]1O)N(C)C)[C@@](C)(C[C@@H](C)C(=O)[C@@H]2C)OC

References

General References
Not Available
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCommunity-Acquired Bacterial Pneumonia (CABP)1
1CompletedBasic ScienceHealthy Volunteers (HV)1
1CompletedOtherHealthy Volunteers (HV)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 Solubility0.00705 mg/mLALOGPS
logP4ALOGPS
logP4.19Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)9.22Chemaxon
pKa (Strongest Basic)8.61Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count15Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area224.18 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity230.18 m3·mol-1Chemaxon
Polarizability90.19 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/MSsplash10-0a4i-0000000090-4d078c2977e9feeb5c16
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0300001190-b073634ea3d6c844748a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0600012090-365371b301f32a7abbc7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-08fr-0400003390-4989c67793f533489d14
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0bt9-0910000110-1e59f3fbb9b52f35c802
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0umr-5910001450-951ae6d0251d781b756b
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

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