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

Identification

Generic Name
Crenolanib
DrugBank Accession Number
DB11832
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 443.551
Monoisotopic: 443.232125194
Chemical Formula
C26H29N5O2
Synonyms
  • Crenolanib
External IDs
  • ARO 002
  • ARO-002
  • CP 868596
  • CP-868,596
  • CP-868596

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.
DrugInteraction
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.
CarbimazoleThe therapeutic efficacy of Carbimazole can be decreased when used in combination with Crenolanib.
Darbepoetin alfaThe risk or severity of Thrombosis can be increased when Darbepoetin alfa is combined with Crenolanib.
ErythropoietinThe risk or severity of Thrombosis can be increased when Erythropoietin is combined 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.
LiothyronineThe therapeutic efficacy of Liothyronine can be decreased when used in combination with Crenolanib.
LiotrixThe therapeutic efficacy of Liotrix can be decreased when used in combination with Crenolanib.
MethimazoleThe therapeutic efficacy of Methimazole can be decreased when used in combination with Crenolanib.
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
4-aminopiperidine / Alkyl aryl ether / Amine / Aminoquinoline / Aromatic heteropolycyclic compound / Azacycle / Azole / Benzenoid / Benzimidazole / Dialkyl ether
show 19 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
LQF7I567TQ
CAS number
670220-88-9
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

References

General References
Not Available
PubChem Compound
10366136
PubChem Substance
347828178
ChemSpider
8541584
BindingDB
185149
ChEBI
145365
ChEMBL
CHEMBL2105728
ZINC
ZINC000003820043
PDBe Ligand
6T2
Wikipedia
Crenolanib
PDB Entries
5lby / 6bqp / 6joi / 6joj

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Active Not RecruitingTreatmentGIST With D842V Mutated PDGFRA Gene1
3RecruitingTreatmentNewly Diagnosed FLT3 Mutated AML1
3RecruitingTreatmentRelapsed/Refractory Acute Myeloid Leukemia With FLT3 Activating Mutations1
3TerminatedTreatmentAcute Myeloid Leukemia (AML)1
2CompletedTreatmentD842-related Mutant GIST1
2CompletedTreatmentNewly Diagnosed AML With FLT3 Activating Mutations1
2CompletedTreatmentRecurrent/Refractory Glioblastoma1
2TerminatedTreatmentGliomas1
2WithdrawnTreatmentNon-Small Cell Lung Carcinoma (NSCLC)1
2WithdrawnTreatmentRelapsed/Refractory FLT3-mutated AML1

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

Drug created at October 20, 2016 20:51 / Updated at February 21, 2021 18:53