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Compound Detail

CHEMBL318782

Dichlon
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O=C1C(Cl)=C(Cl)C(=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL318782
Name Dichlon
Phase Preclinical
Structure Type MOL
InChI Key SVPKNMBRVBMTLB-UHFFFAOYSA-N
12
Targets
15
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

227.1
MW (Da)
2.75
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C10H4Cl2O2
MW 227.05
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -0.09

Activity Summary

IC50 15 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Trypanosoma cruzi
CHEMBL368
 IC50 7.05 7.05 90.0 1
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 6.55 6.55 280.0 1
DNMT3A2/3L complex
CHEMBL3137291
 IC50 6.3 6.3 500.0 1
Carbonic anhydrase 2
CHEMBL6068
 IC50 5.92 5.92 1200.0 1
DNA (cytosine-5)-methyltransferase 1
CHEMBL1993
 IC50 5.8 5.8 1600.0 1
Human rhinovirus A protease
CHEMBL2857
 IC50 5.41 5.345 3900.0 2
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 4.88 4.8 13037.0 2
Plasmodium falciparum
CHEMBL364
 IC50 4.86 4.86 13900.0 1
MRC5
CHEMBL614181
 IC50 4.64 4.325 22990.0 2
COLO-829
CHEMBL2366275
 IC50 4.42 4.42 37930.0 1
A549
CHEMBL392
 IC50 4.34 4.34 45366.0 1
HepG2
CHEMBL395
 IC50 4.19 4.19 65187.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Trypanosoma cruzi IC50 = 90.0 nM 7.05 Antitrypanosomal activity against Trypanosoma cruzi Y epimastigotes after 72 hrs... 22795899
Indoleamine 2,3-dioxygenase 1 IC50 = 280.0 nM 6.55 Inhibition of purified human recombinant IDO 18318466
DNMT3A2/3L complex IC50 = 500.0 nM 6.3 Inhibition of His6-tagged human recombinant DNMT3A/DNMT3L expressed in insect Sf... 25406944
Carbonic anhydrase 2 IC50 = 1200.0 nM 5.92 Inhibition of recombinant Mycobacterium tuberculosis N-terminal Hi-tagged Rv3588... 30108843
DNA (cytosine-5)-methyltransferase 1 IC50 = 1600.0 nM 5.8 Inhibition of His6-tagged human recombinant DNMT1 expressed in insect Sf9 cells ... 25406944
Human rhinovirus A protease IC50 = 3900.0 nM 5.41 Inhibitory activity against HCMV protease by SPA assay 10522707
Human rhinovirus A protease IC50 = 5300.0 nM 5.28 Inhibitory activity against HCMV protease by HPLC assay 10522707
NON-PROTEIN TARGET IC50 = 13037.0 nM 4.88 Cytotoxicity against human MOLT3 cells after 48 hrs by MTT assay 25019480
Plasmodium falciparum IC50 = 13900.0 nM 4.86 Antimalarial activity against chloroquine-sensitive NF54 isolated Plasmodium fal... 26638044
NON-PROTEIN TARGET IC50 = 19204.0 nM 4.72 Cytotoxicity against human HuCCa1 cells after 48 hrs by MTT assay 25019480
MRC5 IC50 = 22990.0 nM 4.64 Cytotoxicity against human MRC5 cells after 48 hrs by MTT assay 25019480
COLO-829 IC50 = 37930.0 nM 4.42 Antiproliferative activity against human COLO829 cells assessed as reduction in ... 31158746
A549 IC50 = 45366.0 nM 4.34 Cytotoxicity against human A549 cells after 48 hrs by MTT assay 25019480
HepG2 IC50 = 65187.0 nM 4.19 Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay 25019480
MRC5 IC50 = 98200.0 nM 4.01 Cytotoxicity against human MRC5 cells assessed as cell growth inhibition after 4... 26638044

Literature References

PubMed DOI Target Context # Activities
38733886 10.1016/j.ejmech.2024.116479 ADMET 45
38733886 10.1016/j.ejmech.2024.116479 Mycolicibacterium smegmatis 34
38733886 10.1016/j.ejmech.2024.116479 Mycobacterium tuberculosis 10
30108843 10.1039/C7MD00090A Carbonic anhydrase 2 4
18708272 10.1016/j.ejmech.2008.06.025 HeLa 3
6834390 10.1021/jm00358a021 Mus musculus 2
30108843 10.1039/C7MD00090A Beta-carbonic anhydrase 1 2
25019480 10.1016/j.ejmech.2014.07.024 A549 2
25019480 10.1016/j.ejmech.2014.07.024 NON-PROTEIN TARGET 2
25019480 10.1016/j.ejmech.2014.07.024 HepG2 2
- 10.1016/j.cropro.2011.09.009 Trichoplusia ni 2
22795899 10.1016/j.bmc.2012.06.027 Trypanosoma cruzi 2
27663546 10.1016/j.bmc.2016.09.028 Unchecked 2
10522707 10.1016/s0960-894x(99)00489-8 Human rhinovirus A protease 2
6834390 10.1021/jm00358a021 No relevant target 2
6834390 10.1021/jm00358a021 Unchecked 2
18708272 10.1016/j.ejmech.2008.06.025 Candida parapsilosis 1
18708272 10.1016/j.ejmech.2008.06.025 Aspergillus fumigatus 1
18708272 10.1016/j.ejmech.2008.06.025 Trichophyton mentagrophytes 1
18708272 10.1016/j.ejmech.2008.06.025 Candida albicans 1

Data from ChEMBL 36 via Core Engine