Details of the Drug

General Information of Drug (ID: DM1LG27)

Drug Name
(E)-3-(2,3-dichlorophenylimino)indolin-2-one
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 291.1
Logarithm of the Partition Coefficient (xlogp) 3.8
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H8Cl2N2O
IUPAC Name
3-(2,3-dichlorophenyl)imino-1H-indol-2-one
Canonical SMILES
C1=CC=C2C(=C1)C(=NC3=C(C(=CC=C3)Cl)Cl)C(=O)N2
InChI
InChI=1S/C14H8Cl2N2O/c15-9-5-3-7-11(12(9)16)17-13-8-4-1-2-6-10(8)18-14(13)19/h1-7H,(H,17,18,19)
InChIKey
AUBZCTXOLGPERG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135559217
ChEBI ID
CHEMBL378877
TTD ID
D0R9KF
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
Galanin receptor (GAL-R) TTOPAY7 GALR1_HUMAN ; GALR2_HUMAN ; GALR3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 3-arylimino-2-indolones are potent and selective galanin GAL3 receptor antagonists. J Med Chem. 2006 Jun 29;49(13):3757-8.