Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL14192

BENZYLIMIDAZOLE
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
c1ccc(Cn2ccnc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL14192
Name BENZYLIMIDAZOLE
Phase Preclinical
Structure Type MOL
InChI Key KKKDZZRICRFGSD-UHFFFAOYSA-N
12
Targets
22
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

158.2
MW (Da)
1.93
ALogP
2
HBA
0
HBD
17.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H10N2
MW 158.20
Aromatic Rings 2
Heavy Atoms 12
NP-Likeness -1.73

Activity Summary

IC50 19 meas. best 6.87
Kd 2 meas. best 6.52
EC50 1 meas. best 4.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
 IC50 6.87 6.4133 135.0 3
Aromatase
CHEMBL1978
 IC50 6.82 6.82 150.0 1
Cytochrome P450 1A2
CHEMBL3356
 IC50 6.7 6.7 200.0 1
ADMET
CHEMBL612558
 Kd 6.52 6.52 300.0 1
Cytochrome P450 11B2, mitochondrial
CHEMBL2722
 IC50 6.34 5.9433 456.0 3
Thromboxane-A synthase
CHEMBL1835
 IC50 6.22 6.22 602.0 1
Cytochrome P450 2D6
CHEMBL289
 IC50 5.7 5.7 2000.0 1
Cytochrome P450 4Z1
CHEMBL4523375
 IC50 5.23 5.2 5900.0 2
Camphor 5-monooxygenase
CHEMBL5594
 IC50 4.8 4.8 16000.0 1
Trypanosoma cruzi
CHEMBL368
 EC50 4.46 4.46 35000.0 1
Steroid 17-alpha-hydroxylase/17,20 lyase
CHEMBL4430
 IC50 4.41 4.35 39060.0 2
Cytochrome P450 3A4
CHEMBL340
 IC50 4.11 4.11 77500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Cytochrome P450 11B1, mitochondrial IC50 = 135.0 nM 6.87 Inhibition of human CYP11B1 expressed in hamster V79MZ cells using 11-deoxycorti... 24900247
Aromatase IC50 = 150.0 nM 6.82 Inhibition of aromatase using 7-methoxy-4-trifluoromethyl coumarin as substrate ... 21703734
Cytochrome P450 1A2 IC50 = 200.0 nM 6.7 DRUGMATRIX: CYP450, 1A2 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) -
ADMET Kd = 300.0 nM 6.52 Binding affinity to C-terminal His4-tagged CYP2B4 dH/H226Y mutant (unknown origi... 21502194
Cytochrome P450 11B2, mitochondrial IC50 = 456.0 nM 6.34 Inhibition of human CYP11B2 expressed in hamster V79MZ cells using 11-deoxycorti... 24900247
Cytochrome P450 11B1, mitochondrial IC50 = 602.56 nM 6.22 Inhibition of human CYP11B1 expressed in chinese hamster V79 cells 20121113
Thromboxane-A synthase IC50 = 602.0 nM 6.22 DRUGMATRIX: Thromboxane Synthetase enzyme inhibition (substrate: PGH2) -
Cytochrome P450 11B1, mitochondrial IC50 = 709.0 nM 6.15 Inhibition of human CYP11B1 expressed in chinese hamster V79 cells 20121113
Cytochrome P450 11B2, mitochondrial IC50 = 1799.0 nM 5.75 Inhibition of human CYP11B2 expressed in chinese hamster V79 cells 20121113
Cytochrome P450 11B2, mitochondrial IC50 = 1819.7 nM 5.74 Inhibition of human CYP11B2 expressed in chinese hamster V79 cells 20121113
Cytochrome P450 2D6 IC50 = 2000.0 nM 5.7 DRUGMATRIX: CYP450, 2D6 enzyme inhibition (substrate: 3-Cyano-7-ethoxycoumarin) -
Cytochrome P450 4Z1 IC50 = 5900.0 nM 5.23 Inhibition of human CYP4Z1 overexpressed in human MCF7 cells using luciferin-BE ... 33611185
Cytochrome P450 4Z1 IC50 = 6700.0 nM 5.17 Inhibition of human CYP4Z1 overexpressed in human MCF7 cells using luciferin-3FB... 33611185
Camphor 5-monooxygenase IC50 = 16000.0 nM 4.8 Inhibition of wild type cytochrome P450cam expressed in Escherichia coli 15214784
Trypanosoma cruzi EC50 = 35000.0 nM 4.46 Antitrypanosomal activity against Trypanosoma cruzi amastigotes infected in BESM... 20547819
Steroid 17-alpha-hydroxylase/17,20 lyase IC50 = 39060.0 nM 4.41 Inhibition of rat microsomal 17,20-lyase component of P450-17alpha 16750362
Steroid 17-alpha-hydroxylase/17,20 lyase IC50 = 50900.0 nM 4.29 Inhibition of rat testis 17,20 lyase component of P450-17alpha 16870430
Cytochrome P450 3A4 IC50 = 77500.0 nM 4.11 null: Microsomal preparation: One lobe of fresh pig liver is obtained (e.g., at ... -
Cytochrome P450 3A4 IC50 = 77500.0 nM 4.11 In vitro ATRA 4-Hydroxylase Activity Assay: All procedures were carried out unde... -

Literature References

PubMed DOI Target Context # Activities
33611185 10.1016/j.ejmech.2021.113255 Cytochrome P450 4Z1 4
16870430 10.1016/j.bmcl.2006.06.092 Steroid 17-alpha-hydroxylase/17,20 lyase 4
20121113 10.1021/jm901356d Cytochrome P450 11B1, mitochondrial 2
- 10.1584/jpestics.21.337 Bombyx mori 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
20675132 10.1016/j.bmcl.2010.02.100 Steroid 17-alpha-hydroxylase/17,20 lyase 2
20121113 10.1021/jm901356d Cytochrome P450 11B2, mitochondrial 2
4020834 10.1021/jm00146a028 Epoxide hydrolase 1 2
18558667 10.1021/jm701549s No relevant target 2
16750362 10.1016/j.bmcl.2006.05.070 Steroid 17-alpha-hydroxylase/17,20 lyase 2
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
33756126 10.1016/j.ejmech.2021.113379 D-3-phosphoglycerate dehydrogenase 1
20121113 10.1021/jm901356d Unchecked 1
12639566 10.1016/s0960-894x(02)01035-1 ADMET 1
20810286 10.1016/j.bmc.2010.08.003 No relevant target 1
20547819 10.1128/aac.01777-09 ADMET 1
15214784 10.1021/jm030608t Camphor 5-monooxygenase 1
20547819 10.1128/aac.01777-09 Unchecked 1
24900247 10.1021/ml100071j Unchecked 1
4020834 10.1021/jm00146a028 No relevant target 1

Data from ChEMBL 36 via Core Engine