Details of the Drug

General Information of Drug (ID: DMPOYK2)

Drug Name
(E)-3-(4-chlorophenylimino)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) 256.68
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C14H9ClN2O
IUPAC Name
3-(4-chlorophenyl)imino-1H-indol-2-one
Canonical SMILES
C1=CC=C2C(=C1)C(=NC3=CC=C(C=C3)Cl)C(=O)N2
InChI
InChI=1S/C14H9ClN2O/c15-9-5-7-10(8-6-9)16-13-11-3-1-2-4-12(11)17-14(13)18/h1-8H,(H,16,17,18)
InChIKey
CPOOLXVTWFEFNO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
135411931
ChEBI ID
CHEMBL209737
CAS Number
57644-24-3
TTD ID
D0H0HM
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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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References

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