General Information of the Compound
Compound ID
CP0073951
Compound Name
4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl]pyridine
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Synonyms
1bl6
4-(4-FLUOROPHENYL)-1-CYCLOROPROPYLMETHYL-5-(4-PYRIDYL)-IMIDAZOLE
4-[1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1h-imidazol-5-yl]pyridine
4-[3-(cyclopropylmethyl)-5-(4-fluorophenyl)imidazol-4-yl]pyridine
AC1L1JR9
BDBM15237
CHEMBL96741
CTK7C0283
DB08522
PYRIDINYLIMIDAZOLE
SB-216995
SB216995
SB6
SCHEMBL4915662
ZINC2047872
sb216995
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Structure
Formula
C18H16FN3
Molecular Weight
293.345
Canonical SMILES
Fc1ccc(cc1)-c1ncn(CC2CC2)c1-c1ccncc1
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InChI
InChI=1S/C18H16FN3/c19-16-5-3-14(4-6-16)17-18(15-7-9-20-10-8-15)22(12-21-17)11-13-1-2-13/h3-10,12-13H,1-2,11H2
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InChIKey
ROKOFZNQCIIJMI-UHFFFAOYSA-N
Physicochemical Property
logP
4.1612
Rotatable Bonds
4
Heavy Atom Count
22
Polar Areas
30.71
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
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: 5171
SID: 15345324
ChEMBL ID
CHEMBL96741
DrugBank ID
DB08522
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: PT01743, Polyunsaturated fatty acid 5-lipoxygenase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000194 RBL-1 Rattus norvegicus (Rat)  1
1
IC50 = 100000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( SB-216995 )
Drug Name SB-216995
Target(s)
Stress-activated protein kinase 2a (p38 alpha)
Inhibitor