Details of the Drug

General Information of Drug (ID: DM68XFZ)

Drug Name
(S)-TBPG
Synonyms S-TBPG
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 209.21
Logarithm of the Partition Coefficient (xlogp) -3.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C8H11N5O2
IUPAC Name
(2S)-2-amino-2-[3-(2H-tetrazol-5-yl)-1-bicyclo[1.1.1]pentanyl]acetic acid
Canonical SMILES
C1C2(CC1(C2)[C@@H](C(=O)O)N)C3=NNN=N3
InChI
InChI=1S/C8H11N5O2/c9-4(5(14)15)7-1-8(2-7,3-7)6-10-12-13-11-6/h4H,1-3,9H2,(H,14,15)(H,10,11,12,13)/t4-,7?,8?/m1/s1
InChIKey
XYCORZCGVTXZFU-XOJFDHPMSA-N
Cross-matching ID
PubChem CID
10058919
TTD ID
D05NTV

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Metabotropic glutamate receptor 1 (mGluR1) TTVBPDM GRM1_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Metabotropic glutamate receptor 1 (mGluR1) DTT GRM1 2.31E-01 -0.05 -0.2
Metabotropic glutamate receptor 1 (mGluR1) DTT GRM1 2.46E-02 0.11 0.74
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3419).
2 Synthesis and biological evaluation of 2-(3'-(1H-tetrazol-5-yl) bicyclo[1.1.1]pent-1-yl)glycine (S-TBPG), a novel mGlu1 receptor antagonist. Bioorg Med Chem. 2001 Feb;9(2):221-7.