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]
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
PubChem CID
25098573
ChEBI ID
CHEMBL463785
TTD ID
D0N9SV
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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]
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.