Details of the Drug

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]
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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

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]

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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.