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]
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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

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]

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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.