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

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.