NAV

USL-311

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

Identification

Generic Name
USL-311
DrugBank Accession Number
DB15265
Background

USL-311 is under investigation in clinical trial NCT02765165 (Phase 1/2 Study of USL311 Alone and in Combination With Lomustine in Subjects With Advanced Solid Tumors and Relapsed/Recurrent Glioblastoma Multiforme (GBM)).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 422.577
Monoisotopic: 422.279409739
Chemical Formula
C24H34N6O
Synonyms
  • 2-Pyridinecarboxamide, 6-(hexahydro-4-(1-(1-methylethyl)-4-piperidinyl)-1H-1,4-diazepin-1-yl)-N-4-pyridinyl-
  • 6-[4-(1-propan-2-ylpiperidin-4-yl)-1,4-diazepan-1-yl]-N-pyridin-4-ylpyridine-2-carboxamide
  • 6-{4-[l-(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl}-N-(pyridin-4-yl)pyridine-2-carboxamide
External IDs
  • USL 311
  • USL311
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Pharmacology

Indication

Not Available

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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
Not Available
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
2BTG5MX2Q2
CAS number
1373268-67-7
InChI Key
XNUNVQKARNSSEO-UHFFFAOYSA-N
InChI
InChI=1S/C24H34N6O/c1-19(2)28-15-9-21(10-16-28)29-13-4-14-30(18-17-29)23-6-3-5-22(27-23)24(31)26-20-7-11-25-12-8-20/h3,5-8,11-12,19,21H,4,9-10,13-18H2,1-2H3,(H,25,26,31)
IUPAC Name
6-{4-[1-(propan-2-yl)piperidin-4-yl]-1,4-diazepan-1-yl}-N-(pyridin-4-yl)pyridine-2-carboxamide
SMILES
CC(C)N1CCC(CC1)N1CCCN(CC1)C1=CC=CC(=N1)C(=O)NC1=CC=NC=C1

References

General References
Not Available
ChemSpider
64853832
ChEMBL
CHEMBL4297449

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2TerminatedTreatmentRelapsed/Recurrent GBM (Phase 2) / Solid Tumors (Phase 1)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 Solubility0.107 mg/mLALOGPS
logP3.23ALOGPS
logP2.43Chemaxon
logS-3.6ALOGPS
pKa (Strongest Acidic)14.5Chemaxon
pKa (Strongest Basic)9.52Chemaxon
Physiological Charge2Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area64.6 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity127.18 m3·mol-1Chemaxon
Polarizability47.61 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
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/MSsplash10-00di-0001900000-9f5193556bd4bca56539
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0011900000-2bda02c85e9d47a91c9a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00fr-0018900000-c05d8506bff3d16c9cad
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0009200000-51e32e7574b46e45ab24
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0ik9-0019000000-634fec6d3715c941fa5c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fkd-1229300000-8e47271b9ee557c09c88
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 15:06 / Updated at July 18, 2023 22:57