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Compound Detail

CHEMBL528271

PARBENDAZOLE
🧪 Phase II
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🧪 Phase II
CCCCc1ccc2[nH]c(NC(=O)OC)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL528271
Name PARBENDAZOLE
Phase Phase II
Structure Type MOL
InChI Key YRWLZFXJFBZBEY-UHFFFAOYSA-N

Known Names

NSC-256420 Parbendazol Parbendazole SK&F 29044 SK&F-29044 TCMDC-131798
4
Targets
11
Activities
1
Assay Types
4
PK Parameters
20
Publications
6
Known Names

Molecular Properties

247.3
MW (Da)
3.08
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral
USAN Stem -bendazole
USAN Year 1968

Extended Properties

Molecular Formula C13H17N3O2
MW 247.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.79

Activity Summary

IC50 11 meas. best 8.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 8.25 7.6563 5.7 8
FaDu
CHEMBL612250
 IC50 6.8 6.8 160.0 1
CAL-27
CHEMBL1075408
 IC50 6.76 6.76 173.0 1
Tubulin
CHEMBL2095182
 IC50 5.02 5.02 9550.0 1

Pharmacokinetic Data

Parameter Value Units Species
AUC 403.0 ng.hr.mL-1 Rattus norvegicus
Cmax 570.16 nM Rattus norvegicus
T1/2 2.16 hr Rattus norvegicus
Tmax 4.0 hr Rattus norvegicus

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 5.66 nM 8.25 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked IC50 = 7.17 nM 8.14 PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... -
Unchecked IC50 = 10.4 nM 7.98 PubChem BioAssay. Increased HeLa cells with 2N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 10.62 nM 7.97 PubChem BioAssay. Increased HeLa cells with 4N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 33.6 nM 7.47 PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... -
Unchecked IC50 = 53.0 nM 7.28 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Unchecked IC50 = 68.2 nM 7.17 PubChem BioAssay. alkaline phosphatase stimulation in WNT3A conditioned C2C12 ce... -
Unchecked IC50 = 102.0 nM 6.99 Antiproliferative activity against human HN-6 cells assessed as cell growth inhi... 35576703
FaDu IC50 = 160.0 nM 6.8 Antiproliferative activity against human FaDu cells assessed as cell growth inhi... 35576703
CAL-27 IC50 = 173.0 nM 6.76 Antiproliferative activity against human CAL-27 cells assessed as cell growth in... 35576703
Tubulin IC50 = 9550.0 nM 5.02 Inhibition of tubulin polymerization (unknown origin) by fluorescence based anal... 35576703

Literature References

PubMed DOI Target Context # Activities
35576703 10.1016/j.ejmech.2022.114450 Unchecked 15
35576703 10.1016/j.ejmech.2022.114450 ADMET 7
20485427 10.1038/nature09107 Plasmodium falciparum 4
950654 10.1021/jm00228a021 Trichinella spiralis 2
35576703 10.1016/j.ejmech.2022.114450 Tubulin 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
20485427 10.1038/nature09107 HepG2 1
38318365 10.1016/j.isci.2024.108907 Deoxynucleoside triphosphate triphosphohydrolase SAMHD1 1
35576703 10.1016/j.ejmech.2022.114450 CAL-27 1
20485427 10.1038/nature09107 Unchecked 1
490558 10.1021/jm00195a021 Heligmosomoides polygyrus 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1
- 10.6019/CHEMBL3433997 Glucose transporter 1
- 10.6019/CHEMBL3433997 Hexose transporter 1 1
- 10.6019/CHEMBL3433997 Solute carrier family 2, facilitated glucose transporter member 1 1

Data from ChEMBL 36 via Core Engine