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]
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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

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]

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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.