NAV

Tolinapant

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

Identification

Generic Name
Tolinapant
DrugBank Accession Number
DB16160
Background

ASTX660 is under investigation in clinical trial NCT02503423 (Phase 1-2 Study of ASTX660 in Subjects With Advanced Solid Tumors and Lymphomas).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 539.696
Monoisotopic: 539.327168395
Chemical Formula
C30H42FN5O3
Synonyms
Not Available
External IDs
  • ASTX 660
  • ASTX-660
  • ASTX660
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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Tolinapant L-(+)-lactic acidNot AvailableNot AvailableNot applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2LHZ9ZC3YO
CAS number
1799328-86-1
InChI Key
YCXOHEXZVKOGEV-DNRQZRRGSA-N
InChI
InChI=1S/C30H42FN5O3/c1-20-14-35(25(13-32-20)15-34-9-10-39-18-21(34)2)16-28(38)36-19-30(3,4)29-27(36)12-23(26(17-37)33-29)11-22-5-7-24(31)8-6-22/h5-8,12,20-21,25,32,37H,9-11,13-19H2,1-4H3/t20-,21-,25-/m1/s1
IUPAC Name
1-{6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-1H,2H,3H-pyrrolo[3,2-b]pyridin-1-yl}-2-[(2R,5R)-5-methyl-2-{[(3R)-3-methylmorpholin-4-yl]methyl}piperazin-1-yl]ethan-1-one
SMILES
C[C@@H]1CN(CC(=O)N2CC(C)(C)C3=C2C=C(CC2=CC=C(F)C=C2)C(CO)=N3)[C@@H](CN2CCOC[C@H]2C)CN1

References

General References
Not Available
ChemSpider
71061559
BindingDB
50450046
ChEMBL
CHEMBL4173974

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHealthy Volunteers (HV)2
1RecruitingHealth Services ResearchAdvanced Malignant Neoplasm / Cervical Cancer / Triple-Negative Breast Cancer1
1RecruitingTreatmentLocally Advanced Rectal Cancer (LARC)1
1TerminatedTreatmentAcute Myeloid Leukemia1
1, 2Active Not RecruitingTreatmentLymphoma / Solid Tumors1

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 Solubility0.109 mg/mLALOGPS
logP2.37ALOGPS
logP2.62Chemaxon
logS-3.7ALOGPS
pKa (Strongest Acidic)14.18Chemaxon
pKa (Strongest Basic)8.37Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area81.17 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity149.72 m3·mol-1Chemaxon
Polarizability59.53 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
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f6x-0030190000-7da66b2a5cc23918b85f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-000i-0010490000-0855acc1f099bed7f85b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-0340190000-16e9cb174d1a46fd9b18
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-052r-0000950000-ce2d41a4e7205c3f5235
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01rx-1901730000-36879741ef4b4709b328
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-052v-1219850000-0c72ecf8ab7080660b48
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at December 15, 2020 18:14 / Updated at September 28, 2023 05:48