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
ChEBI ID
CHEMBL456145
CAS Number
851776-28-8
UNII
4U62D8JYIQ
DrugBank ID
DB05939
TTD ID
D0A5MR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.