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Compound Detail

CHEMBL14210

PHENYZOLINE
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c1ccc(CCC2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL14210
Name PHENYZOLINE
Phase Preclinical
Structure Type MOL
InChI Key CPMMXSDLEOJRHI-UHFFFAOYSA-N
5
Targets
13
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

174.2
MW (Da)
1.62
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.74
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H14N2
MW 174.25
Aromatic Rings 1
Heavy Atoms 13
NP-Likeness -0.09

Activity Summary

Ki 13 meas. best 8.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Monoamine oxidase
CHEMBL2095205
 Ki 8.6 8.6 2.5 1
Nischarin
CHEMBL3923
 Ki 8.6 7.015 2.5 2
Unchecked
CHEMBL612545
 Ki 8.6 8.0667 2.5 6
Adrenergic receptor alpha-2
CHEMBL2093864
 Ki 5.7 5.7 1995.3 1
Nischarin
CHEMBL5221
 Ki 5.43 5.43 3697.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nischarin Ki = 2.512 nM 8.6 Binding affinity for imidazoline receptor I-2 in rabbit kidney homogenate (relat... 10737743
Monoamine oxidase Ki = 2.512 nM 8.6 Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney memb... 12747788
Unchecked Ki = 2.512 nM 8.6 Binding affinity to Imidazoline receptor 2 18661965
Unchecked Ki = 2.5 nM 8.6 Displacement of [3H]2-BFI from Imidazoline receptor 2 in Sprague-Dawley rat whol... 18661965
Unchecked Ki = 2.512 nM 8.6 Binding affinity to I2 imidazoline binding site 22370341
Unchecked Ki = 2.512 nM 8.6 Binding affinity to I2 imidazoline binding site (unknown origin) -
Unchecked Ki = 5.0 nM 8.3 Binding affinity for rat imidazoline I2 receptor from crude P2 membranes; 1-5 14698196
Adrenergic receptor alpha-2 Ki = 1995.26 nM 5.7 Displacement of [3H]clonidine from rat cortex membrane Alpha-2 adrenergic recept... 12747788
Unchecked Ki = 1985.0 nM 5.7 Displacement of [3H]RX821002 from Adrenergic alpha2 receptor in Sprague-Dawley r... 18661965
Nischarin Ki = 3715.35 nM 5.43 Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheoc... 12747788
Nischarin Ki = 3697.0 nM 5.43 Displacement of [3H]clonidine from Imidazoline receptor 1 rat PC-12 cells 18661965
Nischarin Ki = 3715.35 nM 5.43 Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 ... -
Nischarin Ki = 3715.35 nM 5.43 Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane ... 27265687

Literature References

PubMed DOI Target Context # Activities
18661965 10.1021/jm800400k Unchecked 7
12747788 10.1021/jm021113r Unchecked 4
18661965 10.1021/jm800400k Mus musculus 4
22370341 10.1016/j.bmc.2012.02.016 Unchecked 2
10737743 10.1021/jm991124t Nischarin 1
14698196 10.1016/j.bmcl.2003.09.092 Unchecked 1
12747788 10.1021/jm021113r Nischarin 1
12747788 10.1021/jm021113r Monoamine oxidase 1
12747788 10.1021/jm021113r Adrenergic receptor alpha-2 1
18661965 10.1021/jm800400k Nischarin 1
- 10.1007/s00044-004-0023-9 Unchecked 1
- 10.1007/s00044-004-0023-9 Nischarin 1
27265687 10.1016/j.bmc.2016.05.043 Nischarin 1

Data from ChEMBL 36 via Core Engine