General Information of the Compound
Compound ID
CP0264441
Compound Name
2-(2-methylpropyl)-5-[(4-phenylphenyl)methyl]tetrazole
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Synonyms
5-Biphenyl-4-ylmethyl-2-isobutyl-2H-tetrazole
CHEMBL255904
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Structure
Formula
C18H20N4
Molecular Weight
292.386
Canonical SMILES
CC(C)Cn1nnc(Cc2ccc(cc2)-c2ccccc2)n1
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InChI
InChI=1S/C18H20N4/c1-14(2)13-22-20-18(19-21-22)12-15-8-10-17(11-9-15)16-6-4-3-5-7-16/h3-11,14H,12-13H2,1-2H3
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InChIKey
PPXBPBABGOMYLY-UHFFFAOYSA-N
Physicochemical Property
logP
3.5869
Rotatable Bonds
5
Heavy Atom Count
22
Polar Areas
43.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
22

"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: 44448617
ChEMBL ID
CHEMBL255904
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 1600 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000880 COS Chlorocebus aethiops (Green monkey)  1
1
Ki = 4700 nM
   TI
   LI
   LO
   TS
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 26300 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 10000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 5-Biphenyl-4-ylmethyl-2-isobutyl-2H-tetrazole )
Drug Name 5-Biphenyl-4-ylmethyl-2-isobutyl-2H-tetrazole
Target(s)
Cannabinoid receptor 1 (CB1)
Inhibitor
Cannabinoid receptor 2 (CB2)
Inhibitor