Details of the Drug

General Information of Drug (ID: DML6XWR)

Drug Name
LY2944876
Indication
Disease Entry ICD 11 Status REF
Diabetic complication 5A2Y Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 405.5
Logarithm of the Partition Coefficient (xlogp) -4.4
Rotatable Bond Count (rotbonds) 14
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C16H27N3O7S
IUPAC Name
(2R)-2-amino-3-[1-[3-[3-(2-methoxyethoxy)propylamino]-3-oxopropyl]-2,5-dioxopyrrolidin-3-yl]sulfanylpropanoic acid
Canonical SMILES
COCCOCCCNC(=O)CCN1C(=O)CC(C1=O)SC[C@@H](C(=O)O)N
InChI
InChI=1S/C16H27N3O7S/c1-25-7-8-26-6-2-4-18-13(20)3-5-19-14(21)9-12(15(19)22)27-10-11(17)16(23)24/h11-12H,2-10,17H2,1H3,(H,18,20)(H,23,24)/t11-,12?/m0/s1
InChIKey
DLVAZTPQKCTPLB-PXYINDEMSA-N
Cross-matching ID
PubChem CID
121494121
CAS Number
1492924-65-8
UNII
WG4ID2U7FT
DrugBank ID
DB14817
TTD ID
D08FMK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Glucagon receptor (GCGR) TT9O6WS GLR_HUMAN Modulator [2]
Glucagon-like peptide 1 receptor (GLP1R) TTVIMDE GLP1R_HUMAN Modulator [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
Glucagon-like peptide 1 receptor (GLP1R) DTT GLP1R 1.25E-01 0.17 1.26
Glucagon receptor (GCGR) DTT GCGR 7.24E-02 -0.52 -0.92
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT02119819) A Study to Compare a New Drug for Type 2 Diabetes to Placebo and to a Treatment Already Available for Type 2 Diabetes. U.S. National Institutes of Health.
2 Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.