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

Identification

Generic Name
Nevanimibe
DrugBank Accession Number
DB16254
Background

Nevanimibe is under investigation in clinical trial NCT03053271 (A Study of ATR-101 for the Treatment of Endogenous Cushing's Syndrome).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 421.629
Monoisotopic: 421.309312888
Chemical Formula
C27H39N3O
Synonyms
  • Atr-101 free base
  • Nevanimibe
External IDs
  • PD 132301
  • PD-132301

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
VK9OS8R205
CAS number
133825-80-6
InChI Key
PKKNCEXEVUFFFI-UHFFFAOYSA-N
InChI
InChI=1S/C27H39N3O/c1-19(2)23-10-9-11-24(20(3)4)25(23)29-26(31)28-18-27(16-7-8-17-27)21-12-14-22(15-13-21)30(5)6/h9-15,19-20H,7-8,16-18H2,1-6H3,(H2,28,29,31)
IUPAC Name
1-[2,6-bis(propan-2-yl)phenyl]-3-({1-[4-(dimethylamino)phenyl]cyclopentyl}methyl)urea
SMILES
CC(C)C1=CC=CC(C(C)C)=C1NC(=O)NCC1(CCCC1)C1=CC=C(C=C1)N(C)C

References

General References
Not Available
ChemSpider
116346
BindingDB
50041735
ChEMBL
CHEMBL46423
PDBe Ligand
ROV
PDB Entries
6vum / 7n6r

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2TerminatedTreatmentCushing's Syndrome1

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 Solubility0.000589 mg/mLALOGPS
logP6.1ALOGPS
logP6.88ChemAxon
logS-5.9ALOGPS
pKa (Strongest Acidic)13.67ChemAxon
pKa (Strongest Basic)4.89ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count2ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area44.37 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity132.94 m3·mol-1ChemAxon
Polarizability50.5 Å3ChemAxon
Number of Rings3ChemAxon
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

Drug created at December 15, 2020 18:17 / Updated at February 21, 2021 18:55