Details of the Drug

General Information of Drug (ID: DMJKZUC)

Drug Name
NC-2100
Synonyms NC-2100; nc2100; SCHEMBL377641; NC 2100; 179068-64-5; 2,4-Thiazolidinedione, 5-((7-(phenylmethoxy)-3-quinolinyl)methyl)-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 364.4
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H16N2O3S
IUPAC Name
5-[(7-phenylmethoxyquinolin-3-yl)methyl]-1,3-thiazolidine-2,4-dione
Canonical SMILES
C1=CC=C(C=C1)COC2=CC3=NC=C(C=C3C=C2)CC4C(=O)NC(=O)S4
InChI
InChI=1S/C20H16N2O3S/c23-19-18(26-20(24)22-19)9-14-8-15-6-7-16(10-17(15)21-11-14)25-12-13-4-2-1-3-5-13/h1-8,10-11,18H,9,12H2,(H,22,23,24)
InChIKey
AZKFGOQRYCSQPK-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9907086
CAS Number
179068-64-5
TTD ID
D02CFE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Mitochondrial uncoupling protein 1 (UCP1) TTI12YJ UCP1_HUMAN Inducer [1]
Mitochondrial uncoupling protein 2 (UCP2) TTSC2YM UCP2_HUMAN Inducer [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 A new thiazolidinedione, NC-2100, which is a weak PPAR-gamma activator, exhibits potent antidiabetic effects and induces uncoupling protein 1 in white adipose tissue of KKAy obese mice. Diabetes. 2000 May;49(5):759-67.