NAV

Milademetan

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

Identification

Generic Name
Milademetan
DrugBank Accession Number
DB15257
Background

Milademetan is under investigation in clinical trial NCT02319369 (Safety, Tolerability and Pharmacokinetics of Milademetan Alone and With 5-Azacitidine (AZA) in Acute Myelogenous Leukemia (AML) or High-Risk Myelodysplastic Syndrome (MDS)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 618.53
Monoisotopic: 617.1971882
Chemical Formula
C30H34Cl2FN5O4
Synonyms
  • Milademetan
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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
R3I80TLN7S
CAS number
1398568-47-2
InChI Key
RYAYYVTWKAOAJF-QISPRATLSA-N
InChI
InChI=1S/C30H34Cl2FN5O4/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41)/t16-,20+,21+,23-,30-/m1/s1
IUPAC Name
(3'R,4'S,5'R)-N-[(3R,6S)-6-carbamoyloxan-3-yl]-6''-chloro-4'-(2-chloro-3-fluoropyridin-4-yl)-4,4-dimethyl-2''-oxo-1'',2''-dihydrodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indole]-5'-carboxamide
SMILES
CC1(C)CCC2(CC1)N[C@H]([C@H](C1=C(F)C(Cl)=NC=C1)[C@]21C(=O)NC2=CC(Cl)=CC=C12)C(=O)N[C@@H]1CC[C@H](OC1)C(N)=O

References

General References
Not Available
ChemSpider
58828164

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentDedifferentiated Liposarcoma1
2TerminatedTreatmentAdenocarcinoma of the Lung / Adrenocortical Carcinoma / Bile Duct Cancer / Carcinoma of the Head and Neck / Cervical Cancer / Cholangiocarcinoma / Gastric Adenocarcinoma / Gastric Cancer / Invasive Breast Cancer / MDM2 Gene Amplification / Melanoma / Non-Small Cell Lung Cancer (NSCLC) / Ovarian Carcinoma / Pancreatic Cancer / Sarcomas / Solid Tumors / Testicular Germ Cell Tumors / Transitional Cell Carcinoma of the Bladder1
2TerminatedTreatmentAdvanced or Metastatic Breast Cancer1
1CompletedTreatmentAcute Myeloid Leukemia1
1CompletedTreatmentAdvanced Solid Tumors / Lymphoma1

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 Solubility0.00441 mg/mLALOGPS
logP3.76ALOGPS
logP3.31Chemaxon
logS-5.2ALOGPS
pKa (Strongest Acidic)12.74Chemaxon
pKa (Strongest Basic)8.97Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area135.44 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity156.82 m3·mol-1Chemaxon
Polarizability62.25 Å3Chemaxon
Number of Rings6Chemaxon
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/MSsplash10-014i-0000009000-b03d9dcb700a859af3c0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0000059000-90ef6eec01b2d05f658d
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0000119000-49b9ec2029fff8f1d316
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-8000094000-9ff4f495ef4b60aedc33
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0101292000-6abd433a57a818b6f5dc
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9100042000-e5aef878274195b27aaa
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:05 / Updated at February 21, 2021 18:55