General Information of Drug (ID: DMI146O)

Drug Name
(E)-2-(1-decyl-2-oxoindolin-3-ylidene)acetic acid
Synonyms CHEMBL496308; (E)-2-(1-decyl-2-oxoindolin-3-ylidene)acetic acid
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): 1 Molecular Weight (mw) 329.4
Logarithm of the Partition Coefficient (xlogp) 5.3
Rotatable Bond Count (rotbonds) 10
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C20H27NO3
IUPAC Name
(2E)-2-(1-decyl-2-oxoindol-3-ylidene)acetic acid
Canonical SMILES
CCCCCCCCCCN1C2=CC=CC=C2/C(=C\\C(=O)O)/C1=O
InChI
InChI=1S/C20H27NO3/c1-2-3-4-5-6-7-8-11-14-21-18-13-10-9-12-16(18)17(20(21)24)15-19(22)23/h9-10,12-13,15H,2-8,11,14H2,1H3,(H,22,23)/b17-15+
InChIKey
LIUQXAWYSKFADK-BMRADRMJSA-N
Cross-matching ID
PubChem CID
44576946
TTD ID
D0GE3O

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
M-phase inducer phosphatase 1 (MPIP1) TTLZS4Q MPIP1_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design and synthesis of N-alkyl oxindolylidene acetic acids as a new class of potent Cdc25A inhibitors. Bioorg Med Chem Lett. 2008 Jun 1;18(11):3350-3.