NAV

Lerociclib

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

Identification

Generic Name
Lerociclib
DrugBank Accession Number
DB16218
Background

Lerociclib is under investigation in clinical trial NCT02983071 (G1T38, a CDK 4/6 Inhibitor, in Combination With Fulvestrant in Hormone Receptor-positive, Her2-negative Locally Advanced or Metastatic Breast Cancer).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 474.613
Monoisotopic: 474.285557747
Chemical Formula
C26H34N8O
Synonyms
  • G1t38 free base
  • Lerociclib
External IDs
  • G1T38
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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
WBH8AY6ENB
CAS number
1628256-23-4
InChI Key
YPJRHEKCFKOVRT-UHFFFAOYSA-N
InChI
InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31)
IUPAC Name
12'-({5-[4-(propan-2-yl)piperazin-1-yl]pyridin-2-yl}amino)-2',5',11',13'-tetraazaspiro[cyclohexane-1,3'-tricyclo[7.4.0.0^{2,7}]tridecane]-1'(13'),7',9',11'-tetraen-6'-one
SMILES
CC(C)N1CCN(CC1)C1=CC=C(NC2=NC=C3C=C4N(C3=N2)C2(CCCCC2)CNC4=O)N=C1

References

General References
Not Available
ChemSpider
68007293
BindingDB
253941
ChEMBL
CHEMBL3904602

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3WithdrawnTreatmentEndometrial Carcinoma1
2TerminatedTreatmentAdvanced Breast Cancer1
1CompletedOtherHealthy Volunteers (HV)1
1, 2Active Not RecruitingTreatmentBreast Cancer / Breast Neoplasms / Ductal Breast Carcinoma1
1, 2CompletedTreatmentLung Cancer / Non-Small Cell Lung Cancer (NSCLC) / Non-Small Cell Lung Carcinoma1

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 Solubility0.134 mg/mLALOGPS
logP3.49ALOGPS
logP3.51Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)11.59Chemaxon
pKa (Strongest Basic)8.19Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area91.21 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity137.68 m3·mol-1Chemaxon
Polarizability54.61 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-004i-0000900000-db25c34285a153eb4c79
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0000900000-b2829592ca84e2f99ec6
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0kmi-1000900000-1d0e2303e9eb22da2e08
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-002f-0009800000-9ec488410493e002b1ae
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01ox-0009400000-97dcb63205e2f35edfcb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fdx-1025900000-1048000eed13d2734466
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:15 / Updated at February 21, 2021 18:55