NAV

PLX51107

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

Identification

Generic Name
PLX51107
DrugBank Accession Number
DB17543
Background

PLX51107 is a potent and selective inhibitor of the bromodomain and extraterminal (BET) protein family.1,2 PLX51107 is under investigation in clinical trial NCT04022785 (PLX51107 and Azacitidine in Treating Patients With Acute Myeloid Leukemia or Myelodysplastic Syndrome).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 438.487
Monoisotopic: 438.169190584
Chemical Formula
C26H22N4O3
Synonyms
  • Benzoic acid, 4-(6-(3,5-dimethyl-4-isoxazolyl)-1-((1s)-1-(2-pyridinyl)ethyl)-1h-pyrrolo(3,2-b)pyridin-3-yl)-
  • Brd4 inhibitor plx51107
External IDs
  • PLX 51107
  • PLX-51107
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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
W758F1L9ND
CAS number
1627929-55-8
InChI Key
AMSUHYUVOVCWTP-UHFFFAOYSA-N
InChI
InChI=1S/C26H22N4O3/c1-15-24(17(3)33-29-15)20-12-23-25(28-13-20)21(18-7-9-19(10-8-18)26(31)32)14-30(23)16(2)22-6-4-5-11-27-22/h4-14,16H,1-3H3,(H,31,32)
IUPAC Name
4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[1-(pyridin-2-yl)ethyl]-1H-pyrrolo[3,2-b]pyridin-3-yl]benzoic acid
SMILES
CC(N1C=C(C2=C1C=C(C=N2)C1=C(C)ON=C1C)C1=CC=C(C=C1)C(O)=O)C1=CC=CC=N1

References

General References
  1. Ozer HG, El-Gamal D, Powell B, Hing ZA, Blachly JS, Harrington B, Mitchell S, Grieselhuber NR, Williams K, Lai TH, Alinari L, Baiocchi RA, Brinton L, Baskin E, Cannon M, Beaver L, Goettl VM, Lucas DM, Woyach JA, Sampath D, Lehman AM, Yu L, Zhang J, Ma Y, Zhang Y, Spevak W, Shi S, Severson P, Shellooe R, Carias H, Tsang G, Dong K, Ewing T, Marimuthu A, Tantoy C, Walters J, Sanftner L, Rezaei H, Nespi M, Matusow B, Habets G, Ibrahim P, Zhang C, Mathe EA, Bollag G, Byrd JC, Lapalombella R: BRD4 Profiling Identifies Critical Chronic Lymphocytic Leukemia Oncogenic Circuits and Reveals Sensitivity to PLX51107, a Novel Structurally Distinct BET Inhibitor. Cancer Discov. 2018 Apr;8(4):458-477. doi: 10.1158/2159-8290.CD-17-0902. Epub 2018 Jan 31. [Article]
  2. Erkes DA, Field CO, Capparelli C, Tiago M, Purwin TJ, Chervoneva I, Berger AC, Hartsough EJ, Villanueva J, Aplin AE: The next-generation BET inhibitor, PLX51107, delays melanoma growth in a CD8-mediated manner. Pigment Cell Melanoma Res. 2019 Sep;32(5):687-696. doi: 10.1111/pcmr.12788. Epub 2019 May 20. [Article]
ChemSpider
72383360
BindingDB
425462

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentAcute Myeloid Leukemia / Myelodysplastic Syndrome / Myeloproliferative Neoplasms (MPNs) / Myeloproliferative/Myelodysplastic Neoplasm1
1TerminatedTreatmentAcute Myeloid Leukemia / Myelodysplastic Syndrome / Non-Hodgkin's Lymphoma (NHL) / Solid Tumors1
1, 2CompletedTreatmentAcute Graft-Versus-Host Disease (GVHD) / Steroid Refractory Graft Versus Host Disease1

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 Solubility0.0316 mg/mLALOGPS
logP4.56ALOGPS
logP3.05Chemaxon
logS-4.1ALOGPS
pKa (Strongest Acidic)4.02Chemaxon
pKa (Strongest Basic)4.88Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area94.04 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity124.65 m3·mol-1Chemaxon
Polarizability47.7 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at February 15, 2023 22:14 / Updated at February 16, 2023 16:06