Details of the Drug

General Information of Drug (ID: DMI7RPT)

Drug Name
GalR3ant
Synonyms GalR3ant; GTPL6127; SCHEMBL5362026; 3-(3,4-dichlorophenyl)imino-1-(6-methoxypyridin-3-yl)indol-2-one
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) 398.2
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H13Cl2N3O2
IUPAC Name
3-(3,4-dichlorophenyl)imino-1-(6-methoxypyridin-3-yl)indol-2-one
Canonical SMILES
COC1=NC=C(C=C1)N2C3=CC=CC=C3C(=NC4=CC(=C(C=C4)Cl)Cl)C2=O
InChI
InChI=1S/C20H13Cl2N3O2/c1-27-18-9-7-13(11-23-18)25-17-5-3-2-4-14(17)19(20(25)26)24-12-6-8-15(21)16(22)10-12/h2-11H,1H3
InChIKey
YZFBJQVMOLTGFZ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9800980
TTD ID
D0A1QQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Galanin receptor (GAL-R) TTOPAY7 GALR1_HUMAN ; GALR2_HUMAN ; GALR3_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 6127).
2 Galanin (2-11) binds to GalR3 in transfected cell lines: limitations for pharmacological definition of receptor subtypes. Neuropeptides. 2005 Jun;39(3):165-7.