Details of the Drug

General Information of Drug (ID: DMEFUZW)

Drug Name

PMID21273063C1

Synonyms

GTPL5745; BDBM50342664

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)

345.5

Logarithm of the Partition Coefficient (xlogp)

3.4

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

0

Hydrogen Bond Acceptor Count (hbondacc)

4

Chemical Identifiers

Formula: C20H31N3O2
IUPAC Name: tert-butyl 4-(1-pyridin-3-ylpiperidin-4-yl)piperidine-1-carboxylate
Canonical SMILES: CC(C)(C)OC(=O)N1CCC(CC1)C2CCN(CC2)C3=CN=CC=C3
InChI: InChI=1S/C20H31N3O2/c1-20(2,3)25-19(24)23-13-8-17(9-14-23)16-6-11-22(12-7-16)18-5-4-10-21-15-18/h4-5,10,15-17H,6-9,11-14H2,1-3H3
InChIKey: CRZGKAWVJIDZPZ-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.