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

Identification

Name
HM-30181
Accession Number
DB14070
Type
Small Molecule
Groups
Experimental
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
HM 30181 / HM-30181 / HM-30181A / HM30181 / HM30181A
Categories
UNII
K4I4I996O4
CAS number
849675-66-7
Weight
Average: 688.741
Monoisotopic: 688.264547523
Chemical Formula
C38H36N6O7
InChI Key
AHJUHHDDCJQACA-UHFFFAOYSA-N
InChI
InChI=1S/C38H36N6O7/c1-47-32-17-24-14-16-43(22-25(24)18-33(32)48-2)15-13-23-9-11-26(12-10-23)44-41-37(40-42-44)28-19-34(49-3)35(50-4)20-29(28)39-38(46)36-21-30(45)27-7-5-6-8-31(27)51-36/h5-12,17-21H,13-16,22H2,1-4H3,(H,39,46)
IUPAC Name
N-[2-(2-{4-[2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]phenyl}-2H-1,2,3,4-tetrazol-5-yl)-4,5-dimethoxyphenyl]-4-oxo-4H-chromene-2-carboxamide
SMILES
[H]N(C(=O)C1=CC(=O)C2=CC=CC=C2O1)C1=CC(OC)=C(OC)C=C1C1=NN(N=N1)C1=CC=C(CCN2CCC3=CC(OC)=C(OC)C=C3C2)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
AcebutololThe serum concentration of Acebutolol can be increased when it is combined with HM-30181.
Acetylsalicylic acidThe serum concentration of Acetylsalicylic acid can be increased when it is combined with HM-30181.
AlitretinoinThe serum concentration of Alitretinoin can be increased when it is combined with HM-30181.
AmitriptylineThe serum concentration of Amitriptyline can be increased when it is combined with HM-30181.
Ascorbic acidThe serum concentration of Ascorbic acid can be increased when it is combined with HM-30181.
BetamethasoneThe serum concentration of Betamethasone can be increased when it is combined with HM-30181.
CarbamazepineThe serum concentration of Carbamazepine can be increased when it is combined with HM-30181.
ChlorambucilThe serum concentration of Chlorambucil can be increased when it is combined with HM-30181.
ChloroquineThe serum concentration of Chloroquine can be increased when it is combined with HM-30181.
ChlorpromazineThe serum concentration of Chlorpromazine can be increased when it is combined with HM-30181.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
9574663

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Not Yet RecruitingTreatmentTumors, Solid1

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 Solubility0.00472 mg/mLALOGPS
logP4.91ALOGPS
logP5.42ChemAxon
logS-5.2ALOGPS
pKa (Strongest Acidic)11.44ChemAxon
pKa (Strongest Basic)8.46ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count11ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area139.16 Å2ChemAxon
Rotatable Bond Count11ChemAxon
Refractivity216.3 m3·mol-1ChemAxon
Polarizability75.32 Å3ChemAxon
Number of Rings7ChemAxon
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. Kim TE, Lee H, Lim KS, Lee S, Yoon SH, Park KM, Han H, Shin SG, Jang IJ, Yu KS, Cho JY: Effects of HM30181, a P-glycoprotein inhibitor, on the pharmacokinetics and pharmacodynamics of loperamide in healthy volunteers. Br J Clin Pharmacol. 2014 Sep;78(3):556-64. doi: 10.1111/bcp.12368. [PubMed:24602137]
  2. Kim TE, Gu N, Yoon SH, Cho JY, Park KM, Shin SG, Jang IJ, Yu KS: Tolerability and pharmacokinetics of a new P-glycoprotein inhibitor, HM30181, in healthy Korean male volunteers: single- and multiple-dose randomized, placebo-controlled studies. Clin Ther. 2012 Feb;34(2):482-94. doi: 10.1016/j.clinthera.2012.01.003. Epub 2012 Jan 28. [PubMed:22284902]
  3. Kohler SC, Wiese M: HM30181 Derivatives as Novel Potent and Selective Inhibitors of the Breast Cancer Resistance Protein (BCRP/ABCG2). J Med Chem. 2015 May 14;58(9):3910-21. doi: 10.1021/acs.jmedchem.5b00188. Epub 2015 Apr 24. [PubMed:25855895]

Drug created on June 14, 2018 16:46 / Updated on October 01, 2018 15:42