General Information of the Compound
Compound ID
CP0179372
Compound Name
3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
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Synonyms
1,4,5,6-Tetrahydro-3-(1H-tetrazol-5-yl)cyclopenta[c]pyrazole
1,4,5,6-tetrahydro-3-(2H-tetrazol-5-yl)Cyclopentapyrazole
3-(1H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydro-cyclopentapyrazole
3-(2H-tetrazol-5-yl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
4U62D8JYIQ
851776-28-8
AKOS030526928
BCP18112
BDBM50273099
CHEMBL456145
CS-4589
GTPL5784
LTQYSJKGRPGMPO-UHFFFAOYSA-N
MK 0354
MK-0354
MolPort-009-683-033
SCHEMBL1875705
UNII-4U62D8JYIQ
ZINC38312374
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Structure
Formula
C7H8N6
Molecular Weight
176.183
Canonical SMILES
C1Cc2[nH]nc(c2C1)-c1nnn[nH]1
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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)
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InChIKey
LTQYSJKGRPGMPO-UHFFFAOYSA-N
Physicochemical Property
logP
0.0785
Rotatable Bonds
1
Heavy Atom Count
13
Polar Areas
83.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
13

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 11159621
SID: 16805639
ChEMBL ID
CHEMBL456145
DrugBank ID
DB05939
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01282, Hydroxycarboxylic acid receptor 2
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
EC50 = 286 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 2300 nM
2 IC50 = 1500 nM
Clinical Information about the Compound
Drug 1 ( MK-0354 )
Drug Name MK-0354
Target(s)
Nicotinic acid receptor (HCAR2)
 Target Info 
Inhibitor