NAV

Dinaciclib

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

Identification

Generic Name
Dinaciclib
DrugBank Accession Number
DB12021
Background

Dinaciclib has been used in trials studying the treatment of rrMM, rrCLL, rrDLBCL, Solid Tumors, and Solid Neoplasm, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 396.495
Monoisotopic: 396.227374166
Chemical Formula
C21H28N6O2
Synonyms
  • Dinaciclib
External IDs
  • SCH 727965
  • SCH-727965
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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
Improve decision support & research outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as pyrazolo[1,5-a]pyrimidines. These are aromatic heterocyclic compounds containing a pyrazolo[3,4-d]pyrimidine ring system, which consists of a pyrazole ring fused to and sharing exactly one nitrogen atom with a pyrimidine ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Pyrazolopyrimidines
Sub Class
Pyrazolo[1,5-a]pyrimidines
Direct Parent
Pyrazolo[1,5-a]pyrimidines
Alternative Parents
Dialkylarylamines / Secondary alkylarylamines / Aminopyrimidines and derivatives / Pyridinium derivatives / Piperidines / Imidolactams / Pyrazoles / Heteroaromatic compounds / Azacyclic compounds / Primary alcohols
show 3 more
Substituents
Alcohol / Amine / Aminopyrimidine / Aromatic heteropolycyclic compound / Azacycle / Azole / Dialkylarylamine / Heteroaromatic compound / Hydrocarbon derivative / Imidolactam
show 15 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4V8ECV0NBQ
CAS number
779353-01-4
InChI Key
PIMQWRZWLQKKBJ-SFHVURJKSA-N
InChI
InChI=1S/C21H28N6O2/c1-2-17-14-23-27-19(22-13-16-6-5-9-25(29)15-16)12-20(24-21(17)27)26-10-4-3-7-18(26)8-11-28/h5-6,9,12,14-15,18,22,28H,2-4,7-8,10-11,13H2,1H3/t18-/m0/s1
IUPAC Name
3-[({3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl}amino)methyl]pyridin-1-ium-1-olate
SMILES
CCC1=C2N=C(C=C(NCC3=CC=C[N+]([O-])=C3)N2N=C1)N1CCCC[C@H]1CCO

References

General References
Not Available
PubChem Compound
46926350
PubChem Substance
347828337
ChemSpider
25027387
BindingDB
50139171
ChEBI
95060
ChEMBL
CHEMBL2103840
ZINC
ZINC000034894449
Wikipedia
Dinaciclib

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3CompletedTreatmentChronic Lymphocytic Leukemia1
2Active Not RecruitingTreatmentAcral lentiginous melanoma / Cutaneous Nodular Melanoma / Lentigo Maligna Malignant Melanoma / Low-CSD Melanoma / Mucosal Melanoma / Recurrent Melanoma / Stage IV Cutaneous Melanoma AJCC v6 and v71
2CompletedTreatmentBreast Neoplasms / Non-Small Cell Lung Carcinoma1
2CompletedTreatmentRefractory Multiple Myeloma1
2TerminatedTreatmentAcute Lymphoblastic Leukemia (ALL) / Acute Myeloid Leukemia1

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 Solubility0.0524 mg/mLALOGPS
logP2.4ALOGPS
logP1.4Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)15.92Chemaxon
pKa (Strongest Basic)4.63Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area92.63 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity126.34 m3·mol-1Chemaxon
Polarizability44.18 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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-184.55139
predicted
DeepCCS 1.0 (2019)
[M+H]+186.94696
predicted
DeepCCS 1.0 (2019)
[M+Na]+193.10715
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:11 / Updated at February 21, 2021 18:53