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Compound Detail

CHEMBL33845

DICHLOROPHEN
🧪 Phase II
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🧪 Phase II
Oc1ccc(Cl)cc1Cc1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33845
Name DICHLOROPHEN
Phase Phase II
Structure Type MOL
InChI Key MDNWOSOZYLHTCG-UHFFFAOYSA-N

Known Names

Anthiphen Dichlorophen Dichlorophene Diclorofeno Didroxane G-4 NSC-38642 Parabis
6
Targets
26
Activities
2
Assay Types
0
PK Parameters
20
Publications
8
Known Names
1
Indications

Molecular Properties

269.1
MW (Da)
4.00
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C13H10Cl2O2
MW 269.13
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.04

Indications

Helminthiasis

ATC Classification

P02DX02
dichlorophen
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTHELMINTICS

Activity Summary

IC50 22 meas. best 6.26
EC50 4 meas. best 4.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.26 5.1819 546.4 16
Solute carrier family 22 member 1
CHEMBL5685
 IC50 5.08 5.08 8410.0 1
Unchecked
CHEMBL612545
 EC50 4.8 4.7525 15708.0 4
HSP60/HSP10
CHEMBL4106131
 IC50 4.77 4.77 17000.0 1
GroEL/GroES
CHEMBL4106139
 IC50 4.62 4.4 24000.0 2
Indoleamine 2,3-dioxygenase 1
CHEMBL4685
 IC50 4.16 4.16 70000.0 1
Endoplasmic reticulum chaperone BiP
CHEMBL1781865
 IC50 4.0 4.0 100000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 546.4 nM 6.26 PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 862.1 nM 6.06 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 1205.4 nM 5.92 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 1545.5 nM 5.81 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 1928.9 nM 5.71 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 2319.7 nM 5.63 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Unchecked IC50 = 2501.4 nM 5.6 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 4690.5 nM 5.33 PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 5999.76 nM 5.22 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... -
Solute carrier family 22 member 1 IC50 = 8410.0 nM 5.08 Inhibition of human OCT1 expressed in HEK293 cells assessed as decrease in uptak... 28230985
Unchecked IC50 = 15598.9 nM 4.81 PubChem BioAssay. GLP1 secretion from NCI-H716 cells-IC50. (Class of assay: co... -
Unchecked EC50 = 15708.0 nM 4.8 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... -
Unchecked EC50 = 16397.0 nM 4.79 PUBCHEM_BIOASSAY: High Throughput Screen to Identify Compounds that Suppress the... -
HSP60/HSP10 IC50 = 17000.0 nM 4.77 Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia co... 30852084
Unchecked EC50 = 19540.0 nM 4.71 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
Unchecked EC50 = 19570.0 nM 4.71 PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... -
GroEL/GroES IC50 = 24000.0 nM 4.62 Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Esche... 30852084
Unchecked IC50 = 27660.0 nM 4.56 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
Unchecked IC50 = 33790.0 nM 4.47 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Unchecked IC50 = 36600.0 nM 4.44 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -

Literature References

PubMed DOI Target Context # Activities
28830719 10.1016/j.bmc.2017.08.014 Acinetobacter baumannii 16
15646539 10.1016/s0399-8320(04)95062-2 Unchecked 11
15646539 10.1016/s0399-8320(04)95062-2 NON-PROTEIN TARGET 8
34547896 10.1021/acs.jmedchem.1c00823 Transthyretin 5
30852084 10.1016/j.bmcl.2019.02.028 Unchecked 5
30852084 10.1016/j.bmcl.2019.02.028 GroEL/GroES 4
20055453 10.1021/jm9014718 Indoleamine 2,3-dioxygenase 1 3
20566769 10.1128/aac.00067-10 Staphylococcus aureus 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
20566769 10.1128/aac.00067-10 Rattus norvegicus 2
23539337 10.1039/c2md20127e Rattus norvegicus 2
28230985 10.1021/acs.jmedchem.6b01317 Solute carrier family 22 member 1 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
20055453 10.1021/jm9014718 ADMET 2
19097894 10.1016/j.bmcl.2008.11.089 Escherichia coli 1
19097894 10.1016/j.bmcl.2008.11.089 Candida albicans 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
19097894 10.1016/j.bmcl.2008.11.089 Staphylococcus aureus 1
19097894 10.1016/j.bmcl.2008.11.089 Trichophyton mentagrophytes 1

Data from ChEMBL 36 via Core Engine