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]
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
PubChem CID
44577010
ChEBI ID
CHEMBL521836
TTD ID
D0CJ6P
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

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.