Details of the Drug

General Information of Drug (ID: DM16IX2)

Drug Name
LY-2979165
Synonyms Bipolar disorder therapy, Eli Lilly
Indication
Disease Entry ICD 11 Status REF
Bipolar disorder 6A60 Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 355.37
Logarithm of the Partition Coefficient (xlogp) -3.2
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 5
Hydrogen Bond Acceptor Count (hbondacc) 9
Chemical Identifiers
Formula
C13H17N5O5S
IUPAC Name
(1R,2S,4R,5R,6R)-2-[[(2S)-2-aminopropanoyl]amino]-4-(1H-1,2,4-triazol-5-ylsulfanyl)bicyclo[3.1.0]hexane-2,6-dicarboxylic acid
Canonical SMILES
C[C@@H](C(=O)N[C@]1(C[C@H]([C@@H]2[C@H]1[C@H]2C(=O)O)SC3=NC=NN3)C(=O)O)N
InChI
InChI=1S/C13H17N5O5S/c1-4(14)9(19)17-13(11(22)23)2-5(24-12-15-3-16-18-12)6-7(8(6)13)10(20)21/h3-8H,2,14H2,1H3,(H,17,19)(H,20,21)(H,22,23)(H,15,16,18)/t4-,5+,6-,7-,8-,13-/m0/s1
InChIKey
BBGHHIUQOKQCBW-LDZWZCGGSA-N
Cross-matching ID
PubChem CID
53246986
CAS Number
1311385-35-9
TTD ID
D02XLI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 2 (mGluR2) TTXJ47W GRM2_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 Bipolar disorder
ICD Disease Classification 6A60
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Metabotropic glutamate receptor 2 (mGluR2) DTT GRM2 1.09E-01 -0.11 -0.2
Metabotropic glutamate receptor 2 (mGluR2) DTT GRM2 3.19E-01 -0.06 -0.34
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01248052) A First Human Dose Study to Investigate Safety and Tolerability of LY2979165 in Healthy Volunteers in Eli Lilly and Company.
2 Annual Reports in Medicinal Chemistry. Volume 47, 2012, Page(78).