Revumenib

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

Identification

Generic Name
Revumenib
DrugBank Accession Number
DB18515
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 630.82
Monoisotopic: 630.336353354
Chemical Formula
C32H47FN6O4S
Synonyms
  • Benzamide, n-ethyl-2-((4-(7-((trans-4-((ethylsulfonyl)amino)cyclohexyl)methyl)-2,7-diazaspiro(3.5)non-2-yl)-5-pyrimidinyl)oxy)-5-fluoro-n-(1-methylethyl)-

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Revumenib sesquifumarate75HI05N8HS2169919-22-4AXNUWYROYVRYIM-OQIJCFCCSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
LZ0M43NNF2
CAS number
2169919-21-3
InChI Key
FRVSRBKUQZKTOW-YOCNBXQISA-N
InChI
InChI=1S/C32H47FN6O4S/c1-5-39(23(3)4)31(40)27-17-25(33)9-12-28(27)43-29-18-34-22-35-30(29)38-20-32(21-38)13-15-37(16-14-32)19-24-7-10-26(11-8-24)36-44(41,42)6-2/h9,12,17-18,22-24,26,36H,5-8,10-11,13-16,19-21H2,1-4H3/t24-,26-
IUPAC Name
N-ethyl-5-fluoro-N-(propan-2-yl)-2-{[4-(7-{[(1r,4r)-4-ethanesulfonamidocyclohexyl]methyl}-2,7-diazaspiro[3.5]nonan-2-yl)pyrimidin-5-yl]oxy}benzamide
SMILES
CCN(C(C)C)C(=O)C1=CC(F)=CC=C1OC1=CN=CN=C1N1CC2(C1)CCN(C[C@H]1CC[C@@H](CC1)NS(=O)(=O)CC)CC2

References

General References
Not Available
ChemSpider
95502909
ChEMBL
CHEMBL4650827
PDBe Ligand
OQ4
PDB Entries
7uj4 / 8e90

Clinical Trials

Clinical Trials

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
logP3.37Chemaxon
pKa (Strongest Acidic)11.81Chemaxon
pKa (Strongest Basic)9.35Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area107.97 Å2Chemaxon
Rotatable Bond Count10Chemaxon
Refractivity171.88 m3·mol-1Chemaxon
Polarizability69.55 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
Not Available
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 27, 2023 21:23 / Updated at September 28, 2023 05:48