Details of the Drug

General Information of Drug (ID: DM69T3A)

Drug Name
1-(2-Oxo-2-p-tolyl-ethyl)-1H-indole-2,3-dione
Synonyms CHEMBL84747; AKOS009237487
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) 279.29
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H13NO3
IUPAC Name
1-[2-(4-methylphenyl)-2-oxoethyl]indole-2,3-dione
Canonical SMILES
CC1=CC=C(C=C1)C(=O)CN2C3=CC=CC=C3C(=O)C2=O
InChI
InChI=1S/C17H13NO3/c1-11-6-8-12(9-7-11)15(19)10-18-14-5-3-2-4-13(14)16(20)17(18)21/h2-9H,10H2,1H3
InChIKey
PJQULSIUMHBSSF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
28476323
TTD ID
D0A9HM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Plasminogen (PLG) TTP86E2 PLMN_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Plasminogen (PLG) DTT PLG 8.61E-01 -0.01 -0.09
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Parallel synthesis of isatin-based serine protease inhibitors. Bioorg Med Chem Lett. 2000 Nov 20;10(22):2501-4.