NAV

Navtemadlin

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

Identification

Generic Name
Navtemadlin
DrugBank Accession Number
DB15299
Background

Navtemadlin (AMG-232) is under investigation in clinical trial NCT03041688 (MDM2 Inhibitor AMG-232 and Decitabine in Treating Patients With Relapsed, Refractory, or Newly-Diagnosed Acute Myeloid Leukemia).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 568.55
Monoisotopic: 567.1612998
Chemical Formula
C28H35Cl2NO5S
Synonyms
  • {(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[ (2S)-3 -methyl-1-(propan-2- ylsulfonyl)butan-2-yl]-2-oxopiperidin-3-yl}acetic acid
External IDs
  • AMG 232
  • AMG-232
  • KRT-232
  • MDM2 INHIBITOR AMG-232
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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

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Stilbenes
Sub Class
Not Available
Direct Parent
Stilbenes
Alternative Parents
Phenylpiperidines / Chlorobenzenes / Delta lactams / Piperidinones / Aryl chlorides / Tertiary carboxylic acid amides / Sulfones / Monocarboxylic acids and derivatives / Azacyclic compounds / Carboxylic acids
show 6 more
Substituents
Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle / Benzenoid / Carbonyl group / Carboxamide group / Carboxylic acid / Carboxylic acid derivative / Chlorobenzene
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
7R7G6EH5UL
CAS number
1352066-68-2
InChI Key
DRLCSJFKKILATL-YWCVFVGNSA-N
InChI
InChI=1S/C28H35Cl2NO5S/c1-17(2)24(16-37(35,36)18(3)4)31-26(19-9-11-21(29)12-10-19)23(20-7-6-8-22(30)13-20)14-28(5,27(31)34)15-25(32)33/h6-13,17-18,23-24,26H,14-16H2,1-5H3,(H,32,33)/t23-,24-,26-,28-/m1/s1
IUPAC Name
2-[(3R,5R,6S)-5-(3-chlorophenyl)-6-(4-chlorophenyl)-3-methyl-1-[(2S)-3-methyl-1-(propane-2-sulfonyl)butan-2-yl]-2-oxopiperidin-3-yl]acetic acid
SMILES
CC(C)[C@@H](CS(=O)(=O)C(C)C)N1[C@@H]([C@H](C[C@](C)(CC(O)=O)C1=O)C1=CC=CC(Cl)=C1)C1=CC=C(Cl)C=C1

References

General References
Not Available
ChemSpider
31132728
BindingDB
50448947
ChEMBL
CHEMBL3125702
ZINC
ZINC000103248035

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2RecruitingTreatmentPost Polycythemia Vera Myelofibrosis / Post-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Primary Myelofibrosis (PMF)1
2TerminatedTreatmentExtensive-stage Small Cell Lung Cancer (SCLC) / Recurrent Small Cell Lung Cancer (SCLC) / Small Cell Lung Cancer (SCLC)1
2Unknown StatusTreatmentPolycythemia Vera (PV)1
2, 3RecruitingTreatmentEndometrial Cancer1
2, 3RecruitingTreatmentPost Polycythemia Vera Myelofibrosis / Post-essential Thrombocythemia Myelofibrosis (Post-ET MF) / Primary Myelofibrosis (PMF)1

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 Solubility0.000274 mg/mLALOGPS
logP4.27ALOGPS
logP5.86Chemaxon
logS-6.3ALOGPS
pKa (Strongest Acidic)4.19Chemaxon
pKa (Strongest Basic)-0.0047Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area91.75 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity146.04 m3·mol-1Chemaxon
Polarizability58.35 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability0Chemaxon
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/MSsplash10-014i-0000090000-33f4b1757f96508f7203
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000090000-7a94ba10863e9a24220c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-2000890000-1075eee731f82d972db1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-2000290000-6b7737fda31c8887180f
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gwf-0009710000-0499a172439c755ce5da
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001l-9002200000-6d9b4cba14d9feb9da70
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:09 / Updated at November 20, 2023 20:11