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

Identification

Generic Name
CYC-065
DrugBank Accession Number
DB15425
Background

CYC-065 is under investigation in clinical trial NCT03739554 (CYC065 CDK Inhibitor and Venetoclax Study in Relapsed/Refractory CLL).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 397.527
Monoisotopic: 397.259008646
Chemical Formula
C21H31N7O
Synonyms
Not Available
External IDs
  • CYC065

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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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With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.
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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
YET2XNU791
CAS number
1070790-89-4
InChI Key
DLPIYBKBHMZCJI-WBVHZDCISA-N
InChI
InChI=1S/C21H31N7O/c1-7-17(15(6)29)25-21-26-19(18-20(27-21)28(11-24-18)12(2)3)23-10-16-9-22-14(5)8-13(16)4/h8-9,11-12,15,17,29H,7,10H2,1-6H3,(H2,23,25,26,27)/t15-,17+/m1/s1
IUPAC Name
(2R,3S)-3-[(6-{[(4,6-dimethylpyridin-3-yl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)amino]pentan-2-ol
SMILES
CC[C@H](NC1=NC(NCC2=C(C)C=C(C)N=C2)=C2N=CN(C(C)C)C2=N1)[C@@H](C)O

References

General References
Not Available
ChemSpider
34957698
BindingDB
106950
ChEMBL
CHEMBL3655762
ZINC
ZINC000096177788

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingTreatmentAcute Myeloid Leukemia (AML) / MDS1
1Active Not RecruitingTreatmentMalignancies1
1Active Not RecruitingTreatmentRelapsed or Refractory Chronic Lymphocytic Leukemia (CLL)1
1, 2RecruitingTreatmentLeukemias / Myelodysplastic Syndromes (MDS)1
1, 2RecruitingTreatmentMalignant Lymphomas / Solid Tumors, Adult1

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 Solubility0.0598 mg/mLALOGPS
logP3.1ALOGPS
logP2.74ChemAxon
logS-3.8ALOGPS
pKa (Strongest Acidic)14.2ChemAxon
pKa (Strongest Basic)6.36ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area100.78 Å2ChemAxon
Rotatable Bond Count8ChemAxon
Refractivity118.04 m3·mol-1ChemAxon
Polarizability45.53 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Not Available

Drug created at May 20, 2019 15:28 / Updated at June 12, 2020 16:53