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Compound Detail

CHEMBL1213592

CLOCIGUANIL
🧪 Phase II
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🧪 Phase II
CC1(C)N=C(N)N=C(N)N1OCc1ccc(Cl)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1213592
Name CLOCIGUANIL
Phase Phase II
Structure Type MOL
InChI Key XDTNOYLBDDCJSK-UHFFFAOYSA-N

Known Names

Clociguanil
5
Targets
17
Activities
2
Assay Types
0
PK Parameters
12
Publications
1
Known Names

Molecular Properties

316.2
MW (Da)
2.11
ALogP
6
HBA
2
HBD
89.2
PSA (Ų)
0.89
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C12H15Cl2N5O
MW 316.19
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.44

Activity Summary

IC50 16 meas. best 10.68
EC50 1 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 10.68 9.5363 0.0 8
Enterococcus faecium
CHEMBL357
 IC50 9.05 7.26 0.9 2
Lacticaseibacillus casei
CHEMBL613075
 IC50 7.24 6.375 57.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.85 5.97 140.0 2
Escherichia coli
CHEMBL354
 IC50 5.16 5.16 7000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 0.021 nM 10.68 Antimalarial activity against Plasmodium falciparum D6 infected in RBCs assessed... 20566761
Plasmodium falciparum IC50 = 0.022 nM 10.66 Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium viva... 20566761
Plasmodium falciparum IC50 = 0.067 nM 10.17 Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium viva... 20566761
Plasmodium falciparum IC50 = 0.073 nM 10.14 Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium viva... 20566761
Plasmodium falciparum IC50 = 0.219 nM 9.66 Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium viva... 20566761
Plasmodium falciparum IC50 = 0.582 nM 9.23 Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium viva... 20566761
Enterococcus faecium IC50 = 0.9 nM 9.05 Antibacterial activity against sensitive Streptococcus faecium ATCC 8043 assesse... 137981
Plasmodium falciparum IC50 = 3.16 nM 8.5 Antimalarial activity against Plasmodium falciparum TM91c235 harboring DHFR F57L... 20566761
Plasmodium falciparum IC50 = 56.44 nM 7.25 Antimalarial activity against Plasmodium falciparum D6 harboring Plasmodium viva... 20566761
Lacticaseibacillus casei IC50 = 57.0 nM 7.24 Antibacterial activity against sensitive Lactobacillus casei ATCC 7469 assessed ... 137981
NON-PROTEIN TARGET IC50 = 140.0 nM 6.85 Antibacterial activity against sensitive Pediococcus cerevisiae ATCC 808 assesse... 137981
Lacticaseibacillus casei IC50 = 3100.0 nM 5.51 Antibacterial activity against chlorguanide triazine-resistant Lactobacillus cas... 137981
Enterococcus faecium IC50 = 3400.0 nM 5.47 Antibacterial activity against chlorguanide triazine-resistant Streptococcus fae... 137981
Escherichia coli IC50 = 7000.0 nM 5.16 Antibacterial activity against sensitive Escherichia coli ATCC 10536 assessed as... 137981
NON-PROTEIN TARGET IC50 = 8200.0 nM 5.09 Antibacterial activity against chlorguanide triazine-resistant Pediococcus cerev... 137981

Literature References

PubMed DOI Target Context # Activities
20566761 10.1128/aac.00628-10 Plasmodium falciparum 14
137981 10.1021/jm00212a010 Enterococcus faecium 4
137981 10.1021/jm00212a010 Lacticaseibacillus casei 4
137981 10.1021/jm00212a010 NON-PROTEIN TARGET 3
137981 10.1021/jm00212a010 Escherichia coli 2
137981 10.1021/jm00212a010 Plasmodium berghei 2
34364161 10.1016/j.ejmech.2021.113726 Plasmodium berghei 2
20185316 10.1016/j.bmc.2010.01.068 Plasmodium falciparum 1
20799726 10.1021/mp100103e Phospholipidosis 1
20020916 10.1080/15376510701857262 Phospholipidosis 1
137981 10.1021/jm00212a010 Unchecked 1
34364161 10.1016/j.ejmech.2021.113726 Unchecked 1

Data from ChEMBL 36 via Core Engine