Derenofylline

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

Identification

Name
Derenofylline
Accession Number
DB12446
Description

Derenofylline has been used in trials studying the treatment of Congestive Heart Failure and Acute Decompensated Heart Failure; Renal Dysfunction.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 308.385
Monoisotopic: 308.16371128
Chemical Formula
C18H20N4O
Synonyms
  • Derenofylline
External IDs
  • SLV-320
  • SLV320

Pharmacology

Pharmacology
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Indication
Not Available
Contraindications & Blackbox Warnings
Contraindications
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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
Medicalerrors
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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

Categories

Drug Categories
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Sub Class
Pyrrolo[2,3-d]pyrimidines
Direct Parent
Pyrrolo[2,3-d]pyrimidines
Alternative Parents
Secondary alkylarylamines / Cyclohexanols / Aminopyrimidines and derivatives / Imidolactams / Benzene and substituted derivatives / Pyrroles / Heteroaromatic compounds / Cyclic alcohols and derivatives / Azacyclic compounds / Organopnictogen compounds
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Substituents
Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Cyclic alcohol / Cyclohexanol / Heteroaromatic compound / Hydrocarbon derivative
show 13 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Chemical Identifiers

UNII
O1Q96UZ63W
CAS number
251945-92-3
InChI Key
RBZNJGHIKXAKQE-HDJSIYSDSA-N
InChI
InChI=1S/C18H20N4O/c23-14-8-6-13(7-9-14)20-18-15-10-11-19-17(15)21-16(22-18)12-4-2-1-3-5-12/h1-5,10-11,13-14,23H,6-9H2,(H2,19,20,21,22)/t13-,14-
IUPAC Name
(1r,4r)-4-({2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}amino)cyclohexan-1-ol
SMILES
O[C@H]1CC[C@@H](CC1)NC1=C2C=CNC2=NC(=N1)C1=CC=CC=C1

References

General References
Not Available
PubChem Compound
9953065
PubChem Substance
347828687
ChemSpider
24606007

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentCongestive Heart Failure (CHF)1
2TerminatedTreatmentAcute Decompensated Heart Failure; Renal Dysfunction1
Not AvailableTerminatedNot AvailableCongestive Heart Failure (CHF)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 Solubility0.0509 mg/mLALOGPS
logP3.7ALOGPS
logP3.41ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)13.5ChemAxon
pKa (Strongest Basic)6.82ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area73.83 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity102.36 m3·mol-1ChemAxon
Polarizability34.72 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created on October 20, 2016 22:25 / Updated on February 21, 2021 18:53