Crenolanib

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
Crenolanib
Accession Number
DB11832
Type
Small Molecule
Groups
Investigational
Description

Crenolanib is under investigation for the treatment of Diffuse Intrinsic Pontine Glioma and Progressive or Refractory High-Grade Glioma.

Structure
Thumb
Synonyms
Not Available
External IDs
ARO 002 / ARO-002 / CP 868596 / CP-868,596 / CP-868596
Categories
UNII
LQF7I567TQ
CAS number
670220-88-9
Weight
Average: 443.551
Monoisotopic: 443.232125194
Chemical Formula
C26H29N5O2
InChI Key
DYNHJHQFHQTFTP-UHFFFAOYSA-N
InChI
InChI=1S/C26H29N5O2/c1-26(14-32-15-26)16-33-20-6-7-22-21(13-20)28-17-31(22)24-8-5-18-3-2-4-23(25(18)29-24)30-11-9-19(27)10-12-30/h2-8,13,17,19H,9-12,14-16,27H2,1H3
IUPAC Name
1-(2-{5-[(3-methyloxetan-3-yl)methoxy]-1H-1,3-benzodiazol-1-yl}quinolin-8-yl)piperidin-4-amine
SMILES
CC1(COC2=CC=C3N(C=NC3=C2)C2=CC=C3C=CC=C(N4CCC(N)CC4)C3=N2)COC1

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
3,5-diiodothyropropionic acidThe therapeutic efficacy of 3,5-diiodothyropropionic acid can be decreased when used in combination with Crenolanib.
3,5-DiiodotyrosineThe therapeutic efficacy of 3,5-Diiodotyrosine can be decreased when used in combination with Crenolanib.
AbaloparatideThe therapeutic efficacy of Abaloparatide can be decreased when used in combination with Crenolanib.
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with Crenolanib.
BenzylthiouracilThe therapeutic efficacy of Benzylthiouracil can be decreased when used in combination with Crenolanib.
CarbimazoleThe therapeutic efficacy of Carbimazole can be decreased when used in combination with Crenolanib.
DibromotyrosineThe therapeutic efficacy of Dibromotyrosine can be decreased when used in combination with Crenolanib.
ElcatoninThe therapeutic efficacy of Elcatonin can be decreased when used in combination with Crenolanib.
FollitropinThe therapeutic efficacy of Follitropin can be decreased when used in combination with Crenolanib.
LevothyroxineThe therapeutic efficacy of Levothyroxine can be decreased when used in combination with Crenolanib.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
10366136
PubChem Substance
347828178
ChemSpider
8541584
BindingDB
185149
ChEMBL
CHEMBL2105728
HET
6T2
Wikipedia
Crenolanib
PDB Entries
5lby / 6bqp

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentDiffuse Intrinsic Pontine Glioma (DIPG) / Progressive or Refractory High-Grade Glioma1
1CompletedTreatmentLeukemia Acute Myeloid Leukemia (AML)1
1RecruitingTreatmentEsophagogastric Adenocarcinoma1
1, 2CompletedTreatmentRelapsed/Refractory Acute Myeloid Leukemia (AML)1
2Active Not RecruitingTreatmentNewly Diagnosed AML With FLT3 Activating Mutations1
2CompletedTreatmentD842-related Mutant GIST1
2RecruitingTreatmentRecurrent/Refractory Glioblastoma1
2TerminatedTreatmentGliomas1
2WithdrawnTreatmentRelapsed/Refractory FLT3-mutated AML1
3Active Not RecruitingTreatmentLeukemia Acute Myeloid Leukemia (AML)1
3RecruitingTreatmentGIST With D842V Mutated PDGFRA Gene1
3RecruitingTreatmentNewly Diagnosed FLT3 Mutated AML1
3RecruitingTreatmentRelapsed/Refractory Acute Myeloid Leukemia With FLT3 Activating Mutations1

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 Solubility0.0129 mg/mLALOGPS
logP4.06ALOGPS
logP3.28ChemAxon
logS-4.5ALOGPS
pKa (Strongest Basic)10.03ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count6ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area78.43 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity138.65 m3·mol-1ChemAxon
Polarizability49.86 Å3ChemAxon
Number of Rings6ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
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

Taxonomy

Description
This compound belongs to the class of organic compounds known as aminoquinolines and derivatives. These are organic compounds containing an amino group attached to a quinoline ring system.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Quinolines and derivatives
Sub Class
Aminoquinolines and derivatives
Direct Parent
Aminoquinolines and derivatives
Alternative Parents
Benzimidazoles / Phenol ethers / Dialkylarylamines / Aminopiperidines / Alkyl aryl ethers / Pyridines and derivatives / N-substituted imidazoles / Heteroaromatic compounds / Oxetanes / Oxacyclic compounds
show 4 more
Substituents
Aminoquinoline / Benzimidazole / Dialkylarylamine / Tertiary aliphatic/aromatic amine / Phenol ether / Alkyl aryl ether / 4-aminopiperidine / Benzenoid / Pyridine / N-substituted imidazole
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:51 / Updated on June 04, 2019 07:27