NAV

HQP1351

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

Identification

Generic Name
HQP1351
DrugBank Accession Number
DB16185
Background

HQP1351 is under investigation in clinical trial NCT03883100 (A Pivotal Study of HQP1351 in Patients of Chronic Myeloid Leukemia in Accelerated Phase With T315I Mutation).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 532.571
Monoisotopic: 532.219844002
Chemical Formula
C29H27F3N6O
Synonyms
  • Hqp-1351 free base
  • Hqp1351 free base
  • Olverembatinib
External IDs
  • D-824
  • GZD-824
  • HQP-1351
  • HQP1351
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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
KV1M7Q3CBP
CAS number
1257628-77-5
InChI Key
TZKBVRDEOITLRB-UHFFFAOYSA-N
InChI
InChI=1S/C29H27F3N6O/c1-19-3-5-22(14-21(19)6-4-20-13-24-17-34-36-27(24)33-16-20)28(39)35-25-8-7-23(26(15-25)29(30,31)32)18-38-11-9-37(2)10-12-38/h3,5,7-8,13-17H,9-12,18H2,1-2H3,(H,35,39)(H,33,34,36)
IUPAC Name
4-methyl-N-{4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}-3-(2-{1H-pyrazolo[3,4-b]pyridin-5-yl}ethynyl)benzamide
SMILES
CN1CCN(CC2=C(C=C(NC(=O)C3=CC(C#CC4=CC5=C(NN=C5)N=C4)=C(C)C=C3)C=C2)C(F)(F)F)CC1

References

General References
Not Available
ChemSpider
29395146
BindingDB
50425780
ChEMBL
CHEMBL2316582
ZINC
ZINC000095594040
PDBe Ligand
T3X
PDB Entries
8tyq / 8tzb / 8tze / 8tzf / 8u7l

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3RecruitingTreatmentChronic Phase Chronic Myeloid Leukemia / Olverembatinib / Tyrosine Kinase Inhibitors1
3RecruitingTreatmentPhiladelphia Chromosome Positive Acute Lymphoblastic Leukemia (Ph+ ALL)1
2Active Not RecruitingTreatmentAccelerated Phase Chronic Myelogenous Leukemia (CML)1
2Active Not RecruitingTreatmentChronic Phase Chronic Myeloid Leukemia2
2Not Yet RecruitingTreatmentPhiladelphia-Positive ALL2

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 Solubility0.00298 mg/mLALOGPS
logP3.71ALOGPS
logP4.84Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)11.08Chemaxon
pKa (Strongest Basic)7.57Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area77.15 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity142.85 m3·mol-1Chemaxon
Polarizability55.31 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-01q9-0060090000-92a30fcb50e66dc2b018
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0000090000-34d90fc2a097b172dcfc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-1290130000-8810b4aeefb17b368c89
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fl0-0290070000-ab60cb18346e826edb3b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-001i-0190030000-b66b2eb567ea044a75eb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uei-0020590000-8644d1d60b1c9bf48ab2
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:14 / Updated at December 20, 2020 03:38