NAV

Cerdulatinib

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

Identification

Generic Name
Cerdulatinib
DrugBank Accession Number
DB15499
Background

Cerdulatinib is under investigation in clinical trial NCT04021082 (CELTIC-1: A Phase 2B Study of Cerdulatinib in Patients With Relapsed/refractory Peripheral T-cell Lymphoma (PTCL)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 445.54
Monoisotopic: 445.189608931
Chemical Formula
C20H27N7O3S
Synonyms
  • 4-(cyclopropylamino)-2-((4-(4-(ethanesulfonyl)piperazin-1-yl)phenyl)amino)pyrimidine-5-carboxamide
  • 5-pyrimidinecarboxamide, 4-(cyclopropylamino)-2-((4-(4-(ethylsulfonyl)-1-piperazinyl)phenyl)amino)-
  • Cerdulatinib
External IDs
  • PRT-062070
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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
D1LXQ45S1O
CAS number
1198300-79-6
InChI Key
BGLPECHZZQDNCD-UHFFFAOYSA-N
InChI
InChI=1S/C20H27N7O3S/c1-2-31(29,30)27-11-9-26(10-12-27)16-7-5-15(6-8-16)24-20-22-13-17(18(21)28)19(25-20)23-14-3-4-14/h5-8,13-14H,2-4,9-12H2,1H3,(H2,21,28)(H2,22,23,24,25)
IUPAC Name
4-(cyclopropylamino)-2-({4-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}amino)pyrimidine-5-carboxamide
SMILES
CCS(=O)(=O)N1CCN(CC1)C1=CC=C(NC2=NC=C(C(N)=O)C(NC3CC3)=N2)C=C1

References

General References
Not Available
ChemSpider
32822046
ChEMBL
CHEMBL4116008
ZINC
ZINC000114483165
PDBe Ligand
S5I
Wikipedia
Cerdulatinib
PDB Entries
8bx6

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentVitiligo1
2, 3WithdrawnTreatmentAITL / Anaplastic Large Cell Lymphoma / EATL I,II / Follicular T-cell Lymphoma (FTCL) / HSTCL / MEITL, EATL Type II / Nasal Lymphoma / Nodal Lymphomas of T Follicular Helper (TFH) / Peripheral T-cell Lymphomas Not Otherwise Specified (PTCL-NOS)1
1, 2CompletedTreatmentAggressive Non-Hodgkin's Lymphoma / B-Cell Non-Hodgkin Lymphoma (NHL) / Chronic Lymphocytic Leukemia (CLL)/Small Lymphocytic Lymphoma (SLL) / Follicular Lymphoma (FL/Indolent NHL) / T-cell Lymphoma (PTCL and CTCL)1
Not AvailableNo Longer AvailableNot AvailableNon-Hodgkin's Lymphoma (NHL) / Relapsed or Refractory Chronic Lymphocytic Leukemia (CLL)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 Solubility0.0682 mg/mLALOGPS
logP2.08ALOGPS
logP1.39Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)13.39Chemaxon
pKa (Strongest Basic)4.33Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area133.55 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity121.17 m3·mol-1Chemaxon
Polarizability47.74 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-052b-0001900000-75514f1beb996f1fa9a1
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0002900000-9929c65dd99beea96169
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f7o-1009400000-0aed63fa7c2f19d074b6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-054k-0001900000-d4a5d8f05525cf53af20
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-03dr-0009000000-2025ddca830598ee0a0c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udu-0349800000-6b194c44c54817f0d28b
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 08, 2019 19:47 / Updated at February 21, 2021 18:55