Details of the Drug

General Information of Drug (ID: DMMI0RH)

Drug Name
LY-2599506
Synonyms PSN-010
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 415.5
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C21H25N3O4S
IUPAC Name
(2R)-2-(4-cyclopropylsulfonylphenyl)-3-(oxan-4-yl)-N-pyrazin-2-ylpropanamide
Canonical SMILES
C1CC1S(=O)(=O)C2=CC=C(C=C2)[C@@H](CC3CCOCC3)C(=O)NC4=NC=CN=C4
InChI
InChI=1S/C21H25N3O4S/c25-21(24-20-14-22-9-10-23-20)19(13-15-7-11-28-12-8-15)16-1-3-17(4-2-16)29(26,27)18-5-6-18/h1-4,9-10,14-15,18-19H,5-8,11-13H2,(H,23,24,25)/t19-/m1/s1
InChIKey
DQIITKNITDKAJZ-LJQANCHMSA-N
Cross-matching ID
PubChem CID
11517248
CAS Number
745051-65-4
TTD ID
D01CGV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucokinase (GCK) TTDLNGZ HXK4_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Diabetic complication
ICD Disease Classification 5A2Y
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Glucokinase (GCK) DTT GCK 2.72E-01 0.76 0.52
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01024244) A Study of LY2599506 in Patients With Type 2 Diabetes. U.S. National Institutes of Health.
2 This week in therapeutics Endocrine disease. SciBX 2(37); doi:10.1038/scibx.2009.1408. Sept. 24, 2009