Details of the Drug

General Information of Drug (ID: DMF2XHZ)

Drug Name

2-(1-dodecyl-1H-indol-3-yl)acetic acid

Synonyms

CHEMBL521836; 2-(1-dodecyl-1H-indol-3-yl)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): 2

Molecular Weight (mw)

343.5

Logarithm of the Partition Coefficient (xlogp)

7

Rotatable Bond Count (rotbonds)

13

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C22H33NO2
IUPAC Name: 2-(1-dodecylindol-3-yl)acetic acid
Canonical SMILES: CCCCCCCCCCCCN1C=C(C2=CC=CC=C21)CC(=O)O
InChI: InChI=1S/C22H33NO2/c1-2-3-4-5-6-7-8-9-10-13-16-23-18-19(17-22(24)25)20-14-11-12-15-21(20)23/h11-12,14-15,18H,2-10,13,16-17H2,1H3,(H,24,25)
InChIKey: BFCFBVXYQIIZAF-UHFFFAOYSA-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.