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

Identification
NameCrenolanib
Accession NumberDB11832
TypeSmall Molecule
GroupsInvestigational
Description

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

Structure
Thumb
SynonymsNot Available
External IDs ARO 002 / ARO-002 / CP 868596 / CP-868,596 / CP-868596
Product Ingredients Not Available
ProductsNot Available
International BrandsNot Available
Brand mixturesNot Available
Categories
UNIILQF7I567TQ
CAS number670220-88-9
WeightAverage: 443.551
Monoisotopic: 443.232125194
Chemical FormulaC26H29N5O2
InChI KeyDYNHJHQFHQTFTP-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
IndicationNot Available
Structured Indications Not Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
Related Articles
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
MetabolismNot Available
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
Pharmacogenomic Effects/ADRs Not Available
Interactions
Drug Interactions
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Crenolanib.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Crenolanib.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Crenolanib.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Crenolanib.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Crenolanib.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Crenolanib.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Crenolanib.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Crenolanib.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Crenolanib.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Crenolanib.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Crenolanib.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Crenolanib.Approved, Investigational
Food InteractionsNot Available
References
Synthesis ReferenceNot Available
General ReferencesNot Available
External Links
ATC CodesNot Available
AHFS CodesNot Available
PDB EntriesNot Available
FDA labelNot Available
MSDSNot Available
Clinical Trials
Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAcute Myeloid Leukaemias (AML)1
1CompletedTreatmentAdvanced Solid Tumors1
1CompletedTreatmentDiffuse Intrinsic Pontine Glioma (DIPG) / Progressive or Refractory High-Grade Glioma1
1RecruitingTreatmentEsophagogastric Adenocarcinoma1
1, 2RecruitingTreatmentRelapsed/Refractory Acute Myeloid Leukemia (AML)1
2CompletedTreatmentD842-related Mutant GIST1
2RecruitingTreatmentNewly Diagnosed AML With FLT3 Activating Mutations1
2RecruitingTreatmentRecurrent/Refractory Glioblastoma1
2TerminatedTreatmentGliomas1
3Not Yet RecruitingTreatmentNewly Diagnosed FLT3 Mutated AML1
3Not Yet RecruitingTreatmentRelapsed/Refractory Acute Myeloid Leukemia With FLT3 Activating Mutations1
3RecruitingTreatmentAcute Myeloid Leukaemias (AML)1
3RecruitingTreatmentGIST With D842V Mutated PDGFRA Gene1
Properties
StateNot Available
Experimental PropertiesNot 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 featuresNot Available
Spectra
Mass Spec (NIST)Not Available
Spectra
Spectrum TypeDescriptionSplash Key
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, PositiveNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 10V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 20V, NegativeNot Available
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - 40V, NegativeNot Available
Taxonomy
DescriptionThis 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.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassQuinolines and derivatives
Sub ClassAminoquinolines and derivatives
Direct ParentAminoquinolines and derivatives
Alternative ParentsBenzimidazoles / Phenol ethers / Dialkylarylamines / Aminopiperidines / Alkyl aryl ethers / Pyridines and derivatives / N-substituted imidazoles / Heteroaromatic compounds / Oxetanes / Oxacyclic compounds
SubstituentsAminoquinoline / Benzimidazole / Dialkylarylamine / Tertiary aliphatic/aromatic amine / Phenol ether / Alkyl aryl ether / 4-aminopiperidine / Benzenoid / Pyridine / N-substituted imidazole
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Drug created on October 20, 2016 14:51 / Updated on September 01, 2017 12:13