NAV

Birabresib

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

Identification

Generic Name
Birabresib
DrugBank Accession Number
DB15189
Background

Birabresib is under investigation in clinical trial NCT02698176 (A Dose Exploration Study With MK-8628 in Participants With Selected Advanced Solid Tumors (MK-8628-006)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 491.99
Monoisotopic: 491.1182738
Chemical Formula
C25H22ClN5O2S
Synonyms
  • 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thienol[3,2,-f]-[1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl]-N-(4-hydroxyphenyl)-acetamide
  • Birabresib
External IDs
  • MK-8628
  • OTX015
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Birabresib dihydrate4Q356KA5V2204587-26-8LZLFEVJSMKCZGE-FJSYBICCSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
X40LKS49S3
CAS number
202590-98-5
InChI Key
GNMUEVRJHCWKTO-FQEVSTJZSA-N
InChI
InChI=1S/C25H22ClN5O2S/c1-13-14(2)34-25-22(13)23(16-4-6-17(26)7-5-16)28-20(24-30-29-15(3)31(24)25)12-21(33)27-18-8-10-19(32)11-9-18/h4-11,20,32H,12H2,1-3H3,(H,27,33)/t20-/m0/s1
IUPAC Name
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetraazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-hydroxyphenyl)acetamide
SMILES
CC1=C(C)C2=C(S1)N1C(C)=NN=C1[C@H](CC(=O)NC1=CC=C(O)C=C1)N=C2C1=CC=C(Cl)C=C1

References

General References
Not Available
ChemSpider
8112374
BindingDB
50092312
ChEBI
191051
ChEMBL
CHEMBL3581647
ZINC
ZINC000003960759
PDBe Ligand
6JE
Wikipedia
Birabresib
PDB Entries
5wmd

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentGlioblastoma Multiforme (GBM)1
1CompletedTreatmentAcute Lymphoblastic Leukaemias (ALL) / Acute Myeloid Leukemia / Diffuse Large B-Cell Lymphoma (DLBCL) / Multiple Myeloma (MM)1
1CompletedTreatmentCastration Resistant Prostate Cancer / CRPC / Non-small Cell Lung Cancer With Rearranged ALK Gene/Fusion Protein or KRAS Mutation / NUT Midline Carcinoma (NMC) / Pancreatic Ductal Adenocarcinoma (PDAC) / Triple-Negative Breast Cancer1
1TerminatedTreatmentAML Including AML de Novo and AML Secondary to MDS / Diffuse Large B-Cell Lymphoma (DLBCL)1
1TerminatedTreatmentCastration Resistant Prostate Cancer / Non-Small Cell Lung Cancer (NSCLC) / NUT Midline Carcinoma (NMC) / Triple-Negative Breast Cancer1

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 Solubility0.0131 mg/mLALOGPS
logP4.04ALOGPS
logP5.19Chemaxon
logS-4.6ALOGPS
pKa (Strongest Acidic)9.46Chemaxon
pKa (Strongest Basic)4.21Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area92.4 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity146.03 m3·mol-1Chemaxon
Polarizability50.88 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
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/MSsplash10-001l-0009500000-c6077cece35ddae3516f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0002900000-621a480394442081c777
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-0009700000-8ea144cff8c103634c07
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9104800000-b933eb7eaf6278a20298
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ac3-0009200000-e45c8886b419f2b066e5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9303000000-a4b224f6459ad448ea12
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 14:57 / Updated at September 28, 2023 05:47