Details of the Drug

General Information of Drug (ID: DMFYJ6O)

Drug Name

PMID21273063C36

Synonyms

GTPL5747

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)

376.5

Logarithm of the Partition Coefficient (xlogp)

3.2

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

6

Chemical Identifiers

Formula: C22H28N6
IUPAC Name: 2-ethynyl-4-methyl-6-[4-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]piperidin-1-yl]pyrimidine
Canonical SMILES: CC1=CC(=NC(=N1)C#C)N2CCC(CC2)C3CCN(CC3)C4=NC=C(N=C4)C
InChI: InChI=1S/C22H28N6/c1-4-20-25-16(2)13-21(26-20)27-9-5-18(6-10-27)19-7-11-28(12-8-19)22-15-23-17(3)14-24-22/h1,13-15,18-19H,5-12H2,2-3H3
InChIKey: GIKAEVLPYSTAGY-UHFFFAOYSA-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 of potent and selective GPR119 agonists for type II diabetes. Bioorg Med Chem Lett. 2011 May 1;21(9):2665-9.