NAV

Crozbaciclib

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

Identification

Generic Name
Crozbaciclib
DrugBank Accession Number
DB18081
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 488.587
Monoisotopic: 488.250001316
Chemical Formula
C28H30F2N6
Synonyms
  • 2-PYRIMIDINAMINE, 5-FLUORO-4-(7'-FLUORO-2'-METHYLSPIRO(CYCLOPENTANE-1,3'-(3H)INDOL)-5'-YL)-N-(5-(1-METHYL-4-PIPERIDINYL)-2-PYRIDINYL)-
  • 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'- indol]-5'-yl)-N-[5-(1-methylpiperidin-4-yl)pyridin-2- yl]pyrimidin-2-amine
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Crozbaciclib fumarateEA0UN3NLN3Not AvailableDJHWABVQPGVLAK-WLHGVMLRSA-N

Categories

Drug Categories
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
5Y2Z8AH65E
CAS number
2099128-41-1
InChI Key
AEFFENQISAXIKE-UHFFFAOYSA-N
InChI
InChI=1S/C28H30F2N6/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35)
IUPAC Name
5-fluoro-4-{7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indol]-5'-yl}-N-[5-(1-methylpiperidin-4-yl)pyridin-2-yl]pyrimidin-2-amine
SMILES
CN1CCC(CC1)C1=CC=C(NC2=NC=C(F)C(=N2)C2=CC3=C(N=C(C)C33CCCC3)C(F)=C2)N=C1

References

General References
Not Available
ChemSpider
71117313
BindingDB
50464606
ChEMBL
CHEMBL4277900

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
logP5.78Chemaxon
pKa (Strongest Acidic)9.91Chemaxon
pKa (Strongest Basic)8.81Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area66.3 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity139.25 m3·mol-1Chemaxon
Polarizability52.31 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 09, 2023 01:28 / Updated at April 27, 2024 13:35