Details of the Drug

General Information of Drug (ID: DMMRWJG)

Drug Name

NCG21

Synonyms

compound 12 [PMID: 19007110]; NGC21

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

376.4

Logarithm of the Partition Coefficient (xlogp)

4.6

Rotatable Bond Count (rotbonds)

10

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

5

Chemical Identifiers

Formula: C23H24N2O3
IUPAC Name: 4-[4-[2-(N-pyridin-2-ylanilino)ethoxy]phenyl]butanoic acid
Canonical SMILES: C1=CC=C(C=C1)N(CCOC2=CC=C(C=C2)CCCC(=O)O)C3=CC=CC=N3
InChI: InChI=1S/C23H24N2O3/c26-23(27)11-6-7-19-12-14-21(15-13-19)28-18-17-25(20-8-2-1-3-9-20)22-10-4-5-16-24-22/h1-5,8-10,12-16H,6-7,11,17-18H2,(H,26,27)
InChIKey: WQXHZCYCKCQFQP-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
G-protein coupled receptor 120 (GPR120)	TT08JVB	FFAR4_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Identification of G protein-coupled receptor 120-selective agonists derived from PPARgamma agonists. J Med Chem. 2008 Dec 11;51(23):7640-4.