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

CHEMBL67706

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(C2CC2C2=NCCN2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL67706
Phase Preclinical
Structure Type MOL
InChI Key FVWFMHXOBWAETG-UHFFFAOYSA-N
3
Targets
10
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

186.3
MW (Da)
1.79
ALogP
2
HBA
1
HBD
24.4
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N2
MW 186.26
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness 0.03

Activity Summary

Ki 10 meas. best 7.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nischarin
CHEMBL3923
 Ki 7.76 6.505 17.4 4
Monoamine oxidase
CHEMBL2095205
 Ki 7.64 7.11 22.9 3
Adrenergic receptor alpha-2
CHEMBL2093864
 Ki 6.4 5.7767 398.1 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nischarin Ki = 17.38 nM 7.76 Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell... 10425083
Nischarin Ki = 17.38 nM 7.76 Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 in rat pheoc... 12747788
Monoamine oxidase Ki = 22.91 nM 7.64 Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney memb... 10425083
Monoamine oxidase Ki = 22.91 nM 7.64 Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney memb... 12747788
Adrenergic receptor alpha-2 Ki = 398.11 nM 6.4 Displacement of [3H]-clonidine from Alpha-2 adrenergic receptor of rat cortex me... 10425083
Adrenergic receptor alpha-2 Ki = 398.11 nM 6.4 Displacement of [3H]clonidine from rat cortex membrane Alpha-2 adrenergic recept... 12747788
Monoamine oxidase Ki = 891.25 nM 6.05 Displacement of [3H]idazoxan from imidazoline receptor I-2 of rabbit kidney memb... 10425083
Nischarin Ki = 5495.41 nM 5.26 Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell... 10425083
Nischarin Ki = 5754.4 nM 5.24 Displacement of [125I]p-iodoclonidine from imidazoline receptor I-1 of PC12 cell... 10425083
Adrenergic receptor alpha-2 Ki = 29512.09 nM 4.53 Displacement of [3H]-clonidine from Alpha-2 adrenergic receptor of rat cortex me... 10425083

Literature References

PubMed DOI Target Context # Activities
10425083 10.1021/jm991049m Unchecked 4
12747788 10.1021/jm021113r Unchecked 4
10425083 10.1021/jm991049m Nischarin 3
10425083 10.1021/jm991049m Monoamine oxidase 2
10425083 10.1021/jm991049m Adrenergic receptor alpha-2 2
12747788 10.1021/jm021113r Nischarin 1
12747788 10.1021/jm021113r Monoamine oxidase 1
12747788 10.1021/jm021113r Adrenergic receptor alpha-2 1

Data from ChEMBL 36 via Core Engine