Details of the Drug

General Information of Drug (ID: DMTOM3E)

Drug Name

PMID21310611C3

Synonyms

GTPL5724; BDBM50337887

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 is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

416.4

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

7

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C20H24F4N2O3
IUPAC Name: (1-methylcyclopropyl) 4-[(1S)-1-fluoro-2-[[2-(2,3,6-trifluorophenyl)acetyl]amino]ethyl]piperidine-1-carboxylate
Canonical SMILES: CC1(CC1)OC(=O)N2CCC(CC2)[C@@H](CNC(=O)CC3=C(C=CC(=C3F)F)F)F
InChI: InChI=1S/C20H24F4N2O3/c1-20(6-7-20)29-19(28)26-8-4-12(5-9-26)16(23)11-25-17(27)10-13-14(21)2-3-15(22)18(13)24/h2-3,12,16H,4-11H2,1H3,(H,25,27)/t16-/m1/s1
InChIKey: QCIKTRZVLCLGFT-MRXNPFEDSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucose-dependent insulinotropic receptor (GPR119)	TT7QNVC	GP119_HUMAN	Agonist	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Design and evaluation of a 2-(2,3,6-trifluorophenyl)acetamide derivative as an agonist of the GPR119 receptor. Bioorg Med Chem Lett. 2011 Mar 1;21(5):1306-9.