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

Identification

Name
ONT-093
Accession Number
DB14069
Type
Small Molecule
Groups
Investigational
Description

ONT-093 is an orally bioavailable inhibitor of P-glycoprotein (P-gp). In pre-clinical studies, ONT-093 could inhibit P-gp and reverse multidrug resistance at nM concentrations with no effect on paclitaxel pharmacokinetics.

Structure
Thumb
Synonyms
Not Available
External IDs
OC 144-093 / ONT 093 / ONT-093 / ONT093
Categories
UNII
Not Available
CAS number
216227-54-2
Weight
Average: 494.683
Monoisotopic: 494.30456186
Chemical Formula
C32H38N4O
InChI Key
RSJCLODJSVZNQA-BQYQJAHWSA-N
InChI
InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+
IUPAC Name
4-(2-{4-[(1E)-3-ethoxyprop-1-en-1-yl]phenyl}-4-{4-[(propan-2-yl)amino]phenyl}-1H-imidazol-5-yl)-N-(propan-2-yl)aniline
SMILES
[H]\C(COCC)=C(\[H])C1=CC=C(C=C1)C1=NC(=C(N1)C1=CC=C(NC(C)C)C=C1)C1=CC=C(NC(C)C)C=C1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
AMultidrug resistance protein 1
inhibitor
Human
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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
AbemaciclibThe serum concentration of Abemaciclib can be increased when it is combined with ONT-093.
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with ONT-093.
AcetaminophenThe serum concentration of Acetaminophen can be increased when it is combined with ONT-093.
Acetylsalicylic acidThe serum concentration of Acetylsalicylic acid can be increased when it is combined with ONT-093.
AfatinibThe serum concentration of Afatinib can be increased when it is combined with ONT-093.
AldosteroneThe serum concentration of Aldosterone can be increased when it is combined with ONT-093.
AlitretinoinThe serum concentration of Alitretinoin can be increased when it is combined with ONT-093.
AmbrisentanThe serum concentration of Ambrisentan can be increased when it is combined with ONT-093.
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with ONT-093.
AmprenavirThe serum concentration of Amprenavir can be increased when it is combined with ONT-093.
Food Interactions
Not Available

References

General References
  1. Chi KN, Chia SK, Dixon R, Newman MJ, Wacher VJ, Sikic B, Gelmon KA: A phase I pharmacokinetic study of the P-glycoprotein inhibitor, ONT-093, in combination with paclitaxel in patients with advanced cancer. Invest New Drugs. 2005 Aug;23(4):311-5. doi: 10.1007/s10637-005-1439-x. [PubMed:16012790]
External Links
ChemSpider
4953358
ChEMBL
CHEMBL313113

Clinical Trials

Clinical Trials
Not Available

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.000423 mg/mLALOGPS
logP7.21ALOGPS
logP6.81ChemAxon
logS-6.1ALOGPS
pKa (Strongest Acidic)12.39ChemAxon
pKa (Strongest Basic)5.26ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area61.97 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity169.25 m3·mol-1ChemAxon
Polarizability61.43 Å3ChemAxon
Number of Rings4ChemAxon
Bioavailability0ChemAxon
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

Taxonomy

Classification
Not classified

Targets

Kind
Protein
Organism
Human
Pharmacological action
Yes
Actions
Inhibitor
General Function
Xenobiotic-transporting atpase activity
Specific Function
Energy-dependent efflux pump responsible for decreased drug accumulation in multidrug-resistant cells.
Gene Name
ABCB1
Uniprot ID
P08183
Uniprot Name
Multidrug resistance protein 1
Molecular Weight
141477.255 Da
References
  1. Chi KN, Chia SK, Dixon R, Newman MJ, Wacher VJ, Sikic B, Gelmon KA: A phase I pharmacokinetic study of the P-glycoprotein inhibitor, ONT-093, in combination with paclitaxel in patients with advanced cancer. Invest New Drugs. 2005 Aug;23(4):311-5. doi: 10.1007/s10637-005-1439-x. [PubMed:16012790]
  2. Newman MJ, Rodarte JC, Benbatoul KD, Romano SJ, Zhang C, Krane S, Moran EJ, Uyeda RT, Dixon R, Guns ES, Mayer LD: Discovery and characterization of OC144-093, a novel inhibitor of P-glycoprotein-mediated multidrug resistance. Cancer Res. 2000 Jun 1;60(11):2964-72. [PubMed:10850444]

Drug created on June 14, 2018 16:38 / Updated on November 02, 2018 07:49