Details of the Drug

General Information of Drug (ID: DMWFTRJ)

Drug Name
MK-0354
Synonyms
MK-0354; 851776-28-8; UNII-4U62D8JYIQ; 4U62D8JYIQ; CHEMBL456145; 3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole; 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydro-cyclopentapyrazole; 1,4,5,6-Tetrahydro-3-(1H-tetrazol-5-yl)cyclopenta[c]pyrazole; 3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole; LTQYSJKGRPGMPO-UHFFFAOYSA-N; SCHEMBL1875705; GTPL5784; MolPort-009-683-033; 1,4,5,6-tetrahydro-3-(2H-tetrazol-5-yl)Cyclopentapyrazole; BCP18112; ZINC38312374; BDBM50273099; AKOS030526928; MK 0354; CS-4589
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 176.18
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H8N6
IUPAC Name
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
Canonical SMILES
C1CC2=C(C1)NN=C2C3=NNN=N3
InChI
InChI=1S/C7H8N6/c1-2-4-5(3-1)8-9-6(4)7-10-12-13-11-7/h1-3H2,(H,8,9)(H,10,11,12,13)
InChIKey
LTQYSJKGRPGMPO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11159621
CAS Number
851776-28-8
DrugBank ID
DB05939
TTD ID
D0A5MR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Nicotinic acid receptor (HCAR2) TTWNV8U HCAR2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 GPR109a agonists. Part 2: pyrazole-acids as agonists of the human orphan G-protein coupled receptor GPR109a. Bioorg Med Chem Lett. 2010 Aug 1;20(15):4472-4.