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

CHEMBL360803

PI-CLONIDINE
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
Clc1cc(I)cc(Cl)c1N=C1NCCN1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL360803
Name PI-CLONIDINE
Phase Preclinical
Structure Type MOL
InChI Key HSRPTPAPMBHRRJ-UHFFFAOYSA-N
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

356.0
MW (Da)
2.78
ALogP
1
HBA
2
HBD
36.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C9H8Cl2IN3
MW 355.99
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -0.82

Activity Summary

Ki 8 meas. best 10.47
IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nischarin
CHEMBL5221
 Ki 10.47 9.785 0.0 2
Adrenergic receptor alpha-2
CHEMBL2095158
 IC50 8.82 8.82 1.5 1
Unchecked
CHEMBL612545
 Ki 8.46 6.23 3.5 2
Nischarin
CHEMBL3923
 Ki 8.32 8.32 4.8 2
5-hydroxytryptamine receptor 1D
CHEMBL1983
 Ki 7.3 7.3 50.0 1
5-hydroxytryptamine receptor 1B
CHEMBL1898
 Ki 5.7 5.7 1980.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nischarin Ki = 0.03388 nM 10.47 Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 ... -
Nischarin Ki = 0.7943 nM 9.1 Displacement of [125I]PIC from Imidazoline-1 receptor in rat PC12 cell membrane ... 27265687
Adrenergic receptor alpha-2 IC50 = 1.5 nM 8.82 Inhibition of [3H]p-aminoclonidine (PAC) binding to alpha-2 adrenergic receptor ... 3037080
Unchecked Ki = 3.467 nM 8.46 Displacement of [125I]PIC from human alpha2 adrenoceptors expressed in CHO cells 18621536
Nischarin Ki = 4.797 nM 8.32 Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets a... 18621536
Nischarin Ki = 4.8 nM 8.32 Displacement of [125I]PIC from human imidazoline receptor 1 in human platelets a... 18621536
5-hydroxytryptamine receptor 1D Ki = 50.0 nM 7.3 Binding affinity towards human 5-hydroxytryptamine 1D receptor 15324890
5-hydroxytryptamine receptor 1B Ki = 1980.0 nM 5.7 Binding affinity towards human 5-hydroxytryptamine 1B receptor 15324890
Unchecked Ki = 100000.0 nM 4.0 Binding affinity to I2 imidazoline binding site (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
18621536 10.1016/j.bmc.2008.06.051 Unchecked 2
18621536 10.1016/j.bmc.2008.06.051 Nischarin 2
3037080 10.1021/jm00390a021 Adrenergic receptor alpha-2 1
15324890 10.1016/j.bmcl.2004.06.085 5-hydroxytryptamine receptor 1B 1
15324890 10.1016/j.bmcl.2004.06.085 5-hydroxytryptamine receptor 1D 1
15324890 10.1016/j.bmcl.2004.06.085 Serotonin 1 receptors; 5-HT1B & 5-HT1D 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