NAV

Miransertib

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

Identification

Generic Name
Miransertib
DrugBank Accession Number
DB14982
Background

Miransertib is under investigation in clinical trial NCT01473095 (Phase 1 Dose Escalation Study of ARQ 092 in Adult Subjects With Advanced Solid Tumors and Recurrent Malignant Lymphoma).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 432.531
Monoisotopic: 432.206244797
Chemical Formula
C27H24N6
Synonyms
  • 3-{3-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}pyridin-2-amine
  • ARQ 092
  • ARQ-092
  • ARQ092
  • Miransertib
External IDs
  • ARQ 092
  • MK 7075
  • MK-7075
  • MK7075
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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
T1DQI1B52Y
CAS number
1313881-70-7
InChI Key
HNFMVVHMKGFCMB-UHFFFAOYSA-N
InChI
InChI=1S/C27H24N6/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30)
IUPAC Name
3-{3-[4-(1-aminocyclobutyl)phenyl]-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl}pyridin-2-amine
SMILES
NC1=NC=CC=C1C1=NC2=CC=C(N=C2N1C1=CC=C(C=C1)C1(N)CCC1)C1=CC=CC=C1

References

General References
Not Available
ChemSpider
57251282
ChEMBL
CHEMBL4297188
ZINC
ZINC000072315647
PDBe Ligand
6S1
PDB Entries
5kcv

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentPIK3CA-Related Overgrowth Spectrum (PROS)/Proteus Syndrome (PS)1
2RecruitingTreatmentProteus Syndrome1
1CompletedOtherProteus Syndrome1
1CompletedTreatmentLymphoma / Solid Tumors / Tumor1
1TerminatedTreatmentEndometrial Cancer / Ovarian Cancer / Solid Tumors1

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 Solubility0.00313 mg/mLALOGPS
logP4.66ALOGPS
logP4.86Chemaxon
logS-5.1ALOGPS
pKa (Strongest Basic)9.65Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area95.64 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity150.66 m3·mol-1Chemaxon
Polarizability48.66 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/MSsplash10-014i-0000900000-4bca561932ce37e27c6b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0000900000-90f3ae4adc405365d3b6
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000900000-3d49a922c121024c85c0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0000900000-d2bf871a2220d160b691
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0006900000-585a3e0de3df3d114a85
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-2913200000-2aafc9b3565cc21851c3
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 14:39 / Updated at July 18, 2023 22:57