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

CHEMBL259727

CLOTHIANIDINE
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
CN/C(=N\[N+](=O)[O-])NCc1cnc(Cl)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL259727
Name CLOTHIANIDINE
Phase Preclinical
Structure Type MOL
InChI Key PGOOBECODWQEAB-UHFFFAOYSA-N
4
Targets
11
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

249.7
MW (Da)
0.65
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.36
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C6H8ClN5O2S
MW 249.68
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.80

Activity Summary

IC50 5 meas. best 8.74
Ki 5 meas. best 10.24
EC50 1 meas. best 5.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 10.24 7.908 0.1 5
Nicotinic acetylcholine receptor alpha 5 subunit
CHEMBL2366408
 IC50 8.74 8.74 1.8 1
Acetylcholine receptor subunit beta-like 2
CHEMBL2366470
 IC50 8.66 8.65 2.2 2
Unchecked
CHEMBL612545
 IC50 8.04 8.04 9.2 1
Nicotinic acetylcholine receptor alpha8 subunit
CHEMBL2366437
 EC50 5.8 5.8 1584.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 0.058 nM 10.24 Displacement of [3H]-methyl-SFX from nAChR in Myzus persicae 4106A (green peach ... 23112103
Nicotinic acetylcholine receptor alpha 5 subunit IC50 = 1.8 nM 8.74 Displacement of [3H]IMI from nicotinic acetylcholine receptor in Musca domestica... 10936213
Acetylcholine receptor subunit beta-like 2 IC50 = 2.2 nM 8.66 Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila mela... 10936213
Acetylcholine receptor subunit beta-like 2 IC50 = 2.3 nM 8.64 Displacement of [3H]IMI from nicotinic acetylcholine receptor in Aphis craccivor... 10936213
Unchecked Ki = 2.7 nM 8.57 Displacement of [3H]IMD from nAChR in Myzus persicae 4106A (green peach aphid) m... 23112103
Unchecked Ki = 4.0 nM 8.4 Displacement of [3H]IMI from nicotinic acetylcholine receptor in Drosophila mela... 19253973
Unchecked IC50 = 9.2 nM 8.04 Displacement of [3H]IMI from nicotinic acetylcholine receptor in Myzus persicae ... 10936213
Unchecked Ki = 574.0 nM 6.24 Displacement of [3H]EPI from Aplysia AChBP expressed in HEK293S cells by scintil... 17485662
Unchecked Ki = 808.0 nM 6.09 Displacement of [3H]ACE from Aplysia AChBP expressed in HEK293S cells by scintil... 17485662
Nicotinic acetylcholine receptor alpha8 subunit EC50 = 1584.89 nM 5.8 Agonist activity at Periplaneta americana (American cockroach) nAChR in terminal... -

Literature References

PubMed DOI Target Context # Activities
21714058 10.1002/ps.2207 Aphis gossypii 10
22933384 10.1002/ps.3387 Lygaeidae 7
19642076 10.1002/ps.1818 Ceutorhynchus obstrictus 6
22290809 10.1002/ps.2285 Popillia japonica 5
22933384 10.1002/ps.3387 Urochloa mutica 4
19742452 10.1002/ps.1835 Amphimallon majale 3
23112103 10.1002/ps.3413 Unchecked 3
19742452 10.1002/ps.1835 Maladera castanea 3
19742452 10.1002/ps.1835 Popillia japonica 3
19742452 10.1002/ps.1835 Anomala orientalis 3
10936213 10.1046/j.1471-4159.2000.751294.x Acetylcholine receptor subunit beta-like 2 3
21476569 10.1021/jf200485k Aldehyde oxidase 1 2
- 10.1584/jpestics.31.35 Nicotinic acetylcholine receptor alpha8 subunit 2
10936213 10.1046/j.1471-4159.2000.751294.x Unchecked 2
23112103 10.1002/ps.3413 Myzus persicae 2
22290809 10.1002/ps.2285 Paralobesia 2
21476569 10.1021/jf200485k Tyrosinase 2
17485662 10.1073/pnas.0703309104 Unchecked 2
19253973 10.1021/jf803985r Unchecked 1
21476569 10.1021/jf200485k Zea mays 1

Data from ChEMBL 36 via Core Engine