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Compound Detail

CHEMBL1448

NICLOSAMIDE
💊 Approved Drug
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💊 Approved Drug
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc(Cl)ccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1448
Name NICLOSAMIDE
Phase Approved
Structure Type MOL
InChI Key RJMUSRYZPJIFPJ-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

BAY 2353 BAY-2353 Ex a lint Lintex Niclocide Niclosamida Niclosamide Niclosamide (anhydrous) Niclosamide anhydrous Niclosamide, anhydrous Niclosamidum anhydrous Nicloside +3 more
60
Targets
153
Activities
2
Assay Types
26
PK Parameters
20
Publications
15
Known Names
10
Indications
2
Mechanisms

Molecular Properties

327.1
MW (Da)
3.86
ALogP
4
HBA
2
HBD
92.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1982
Availability Discontinued
Chirality Achiral

Routes of Administration

Oral

Flags

Natural Product
USAN Year 1966

Extended Properties

Molecular Formula C13H8Cl2N2O4
MW 327.12
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.82

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
DNA inhibitor INHIBITOR DNA ✓ ✓
DNA inhibitor INHIBITOR DNA ✓ ✓

Indications

Helminthiasis Diabetic Nephropathies Severe Acute Respiratory Syndrome Adenomatous Polyposis Coli Colorectal Neoplasms Prostatic Neoplasms Arthritis, Rheumatoid Colonic Neoplasms Leukemia, Myeloid, Acute Prostatic Neoplasms, Castration-Resistant

ATC Classification

P02DA01
niclosamide
Level 1: ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
Level 2: ANTHELMINTICS

Activity Summary

IC50 143 meas. best 9.25
EC50 10 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Plasmodium falciparum
CHEMBL364
 IC50 9.25 7.4533 0.6 15
Unchecked
CHEMBL612545
 IC50 9.0 6.7235 1.0 23
Anoctamin-1
CHEMBL2046267
 IC50 7.55 7.55 28.0 1
HCT-116
CHEMBL394
 EC50 7.25 7.25 56.0 1
SW948
CHEMBL1075598
 IC50 6.96 6.96 110.0 1
SARS-CoV-2
CHEMBL4303835
 IC50 6.95 6.2288 112.0 8
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 6.89 6.627 130.0 10
HT-29
CHEMBL384
 IC50 6.89 5.7867 130.0 3
Leishmania donovani
CHEMBL367
 IC50 6.82 6.125 150.0 2
Hepatitis C virus
CHEMBL379
 EC50 6.8 6.8 160.0 1
Signal transducer and activator of transcription 3
CHEMBL4026
 IC50 6.68 6.33 210.0 3
HCT-116
CHEMBL394
 IC50 6.6 6.438 250.0 5
Replicase polyprotein 1ab
CHEMBL4523582
 IC50 6.55 6.55 280.0 1
LN-229
CHEMBL4296459
 IC50 6.52 6.52 300.0 1
U138-MG
CHEMBL4296506
 IC50 6.52 6.52 300.0 1
HL-60
CHEMBL383
 IC50 6.52 6.52 300.0 1
U-87 MG
CHEMBL614247
 IC50 6.52 6.52 300.0 1
T98G
CHEMBL614775
 IC50 6.52 6.52 300.0 1
HEK293
CHEMBL614818
 IC50 6.47 6.47 340.0 1
KG-1
CHEMBL612264
 IC50 6.44 6.44 360.0 1
Chikungunya virus
CHEMBL4296563
 EC50 6.44 6.145 360.0 4
Molecular identity unknown
CHEMBL612546
 IC50 6.4 6.4 400.0 1
PC-3
CHEMBL390
 IC50 6.4 5.6833 400.0 3
A549
CHEMBL392
 IC50 6.4 5.96 400.0 2
Jurkat
CHEMBL397
 IC50 6.4 6.4 400.0 1
SARS-CoV-2
CHEMBL4303835
 EC50 6.4 5.8 400.0 3
Human adenovirus 5
CHEMBL612237
 IC50 6.22 6.065 600.0 4
NALM-6
CHEMBL614187
 IC50 6.21 6.21 620.0 1
MDA-MB-231
CHEMBL400
 IC50 6.2 6.05 625.0 5
DU-145
CHEMBL613508
 IC50 6.16 5.92 700.0 3
LoVo
CHEMBL614721
 IC50 6.16 6.16 700.0 1
LNCaP
CHEMBL612518
 IC50 6.1 6.1 800.0 1
SH-SY5Y
CHEMBL614910
 IC50 6.06 6.06 870.0 1
SW480
CHEMBL612544
 IC50 6.01 6.005 980.0 2
MCF7
CHEMBL387
 IC50 5.97 5.6767 1060.0 3
MIA PaCa-2
CHEMBL614725
 IC50 5.96 5.96 1100.0 1
HeLa
CHEMBL399
 IC50 5.85 5.85 1400.0 1
ASPC1
CHEMBL612588
 IC50 5.83 5.83 1470.0 2
CWR22R
CHEMBL612657
 IC50 5.79 5.79 1610.0 1
Trypanosoma brucei rhodesiense
CHEMBL612348
 IC50 5.78 5.78 1670.0 1
PANC-1
CHEMBL614139
 IC50 5.76 5.76 1730.0 2
Unchecked
CHEMBL612545
 EC50 5.71 5.71 1930.0 1
SK-N-AS
CHEMBL1075578
 IC50 5.63 5.63 2330.0 1
DLD-1
CHEMBL614285
 IC50 5.62 5.62 2390.0 1
Trypanosoma cruzi
CHEMBL368
 IC50 5.6 5.6 2490.0 1
Mycolicibacterium smegmatis
CHEMBL613088
 IC50 5.48 5.3233 3310.0 6
A-431
CHEMBL614069
 IC50 5.06 5.06 8800.0 1
Tyrosine-protein kinase JAK2
CHEMBL2971
 IC50 5.0 5.0 10000.0 1
Proto-oncogene tyrosine-protein kinase Src
CHEMBL267
 IC50 5.0 4.99 10000.0 2
dengue virus type 2
CHEMBL613966
 IC50 5.0 5.0 10000.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 1020.0 ng.hr.mL-1 Mus musculus
AUC 1010.0 ng.hr.mL-1 Mus musculus
AUC 536.0 ng.hr.mL-1 Mus musculus
AUC 536.0 ng.hr.mL-1 Mus musculus
AUC 478.0 ng.hr.mL-1 Mus musculus
AUC 522.0 ng.hr.mL-1 Mus musculus
CL 39.0 mL.min-1.kg-1 Rattus norvegicus
CL 0.0037 mg/ng/ml/hr Mus musculus
Cmax 2730.0 nM Mus musculus
Cmax 1308.39 nM Mus musculus
F 15.0 % Rattus norvegicus
F 10.0 % Rattus norvegicus
MRT 6.8 hr Mus musculus
MRT 0.404 hr Mus musculus
MRT 2.81 hr Mus musculus
T1/2 3.7 hr Rattus norvegicus
T1/2 3.1 hr Mus musculus
T1/2 0.35 hr Homo sapiens
T1/2 0.11 hr Mus musculus
T1/2 0.56 hr Mus musculus
T1/2 1.99 hr Mus musculus
T1/2 0.09767 hr Mus musculus
T1/2 0.2217 hr Homo sapiens
Tmax 0.25 hr Mus musculus
Vd 0.9 L.kg-1 Mus musculus
Vz 0.0025 mg/ng/ml Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Plasmodium falciparum IC50 = 0.56 nM 9.25 Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR gr... 19734910
Plasmodium falciparum IC50 = 0.74 nM 9.13 Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 0.89 nM 9.05 Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 0.89 nM 9.05 Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR g... 19734910
Plasmodium falciparum IC50 = 0.89 nM 9.05 Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 1.0 nM 9.0 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 1.0 nM 9.0 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Plasmodium falciparum IC50 = 1.0 nM 9.0 Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 1.44 nM 8.84 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Plasmodium falciparum IC50 = 1.48 nM 8.83 Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR g... 19734910
Unchecked IC50 = 2.95 nM 8.53 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 3.49 nM 8.46 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 8.26 nM 8.08 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Anoctamin-1 IC50 = 28.0 nM 7.55 Inhibition of YFP tagged ANO1 (unknown origin) expressed in FRT cells incubated ... 35512566
HCT-116 EC50 = 56.0 nM 7.25 Effect on ATP homeostasis in human HCT116 cells assessed as reduction in ATP lev... 28233680
SW948 IC50 = 110.0 nM 6.96 Antiproliferative activity against human SW948 cells after 72 hrs by colorimetri... 30274939
Unchecked IC50 = 112.0 nM 6.95 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
SARS-CoV-2 IC50 = 112.0 nM 6.95 Antiviral activity against SARS Cov-2 USA_WA1/2020 infected in Vero E6 cells ass... 33689873
Unchecked IC50 = 120.0 nM 6.92 Inhibition of Wnt/beta-catenin signaling (unknown origin) expressed in HEK293 ce... 28233680
Unchecked IC50 = 120.0 nM 6.92 Antiviral activity against Zika virus infected in SNB-19 cells assessed as reduc... 33689873

Literature References

PubMed DOI Target Context # Activities
24900231 10.1021/ml100146z DU-145 42
30274939 10.1016/j.bmc.2018.09.016 Unchecked 18
19734910 10.1038/nchembio.215 Plasmodium falciparum 14
28233680 10.1016/j.bmc.2017.01.046 Unchecked 14
30954430 10.1016/j.bmcl.2019.03.032 Enterobacter cloacae 13
19786608 10.1128/aac.00803-09 Mycolicibacterium smegmatis 12
30551901 10.1016/j.bmcl.2018.11.022 Unchecked 11
- 10.6019/CHEMBL4495565 SARS-CoV-2 10
31253529 10.1016/j.bmcl.2019.06.023 ADMET 10
30274939 10.1016/j.bmc.2018.09.016 Mus musculus 10
19540764 10.1016/j.bmc.2009.05.054 Protective antigen 10
30954430 10.1016/j.bmcl.2019.03.032 Klebsiella pneumoniae 9
33112138 10.1021/acs.jmedchem.0c01226 Human adenovirus 5 8
37058956 10.1016/j.ejmech.2023.115320 ADMET 8
18625764 10.1128/aac.00379-08 Mycobacterium tuberculosis 8
23459613 10.1021/ml3003082 MDA-MB-231 8
35398731 10.1016/j.ejmech.2022.114318 Pseudomonas aeruginosa 7
24900231 10.1021/ml100146z Signal transducer and activator of transcription 3 7
26272032 10.1016/j.bmc.2015.07.001 NON-PROTEIN TARGET 7
32045239 10.1021/acs.jmedchem.9b01950 Human adenovirus 5 7

Data from ChEMBL 36 via Core Engine