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Compound Detail

CHEMBL70971

CARBENDAZIM
Phase I
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Phase I
COC(=O)Nc1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL70971
Name CARBENDAZIM
Phase Phase I
Structure Type MOL
InChI Key TWFZGCMQGLPBSX-UHFFFAOYSA-N

Known Names

A 118 A118 BAS-67054F Bavistin Carbendazim Derroprene EK-578 FB-642 Fenbendazole related compound a Lignasan NSC-109874 Thicoper
5
Targets
8
Activities
2
Assay Types
0
PK Parameters
20
Publications
12
Known Names
1
Indications

Molecular Properties

191.2
MW (Da)
1.74
ALogP
3
HBA
2
HBD
67.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C9H9N3O2
MW 191.19
Aromatic Rings 2
Heavy Atoms 14
NP-Likeness -1.10

Indications

Neoplasms

Activity Summary

IC50 7 meas. best 7.24
EC50 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Giardia intestinalis
CHEMBL612652
 IC50 7.24 7.24 57.0 4
Entamoeba histolytica
CHEMBL612853
 IC50 6.69 6.69 204.0 1
Microdochium nivale
CHEMBL1075351
 IC50 5.58 5.58 2600.0 1
Fusarium solani
CHEMBL612506
 EC50 5.36 5.36 4340.0 1
Pyricularia oryzae
CHEMBL612925
 IC50 5.3 5.3 5000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Giardia intestinalis IC50 = 57.0 nM 7.24 The compound was tested in vitro against the protozoa Giardia lamblia, for the i... 12127542
Giardia intestinalis IC50 = 57.0 nM 7.24 Antiparasitic activity against Giardia duodenalis IMSS:0989 after 48 hrs 22464423
Giardia intestinalis IC50 = 57.0 nM 7.24 Antigiardial activity against Giardia lamblia IMSS:0989:1 incubated for 48 hrs f... 32869995
Giardia intestinalis IC50 = 57.0 nM 7.24 Giardicidal activity against Giardia intestinalis incubated for 48 hrs by hemocy... 33360795
Entamoeba histolytica IC50 = 204.0 nM 6.69 The compound was tested in vitro against the protozoa Entamoeba histolytica, for... 12127542
Microdochium nivale IC50 = 2600.0 nM 5.58 Antifungal activity against Fusarium nivale CGMCC 3.4600 after 48 hrs by Alamar ... 20408555
Fusarium solani EC50 = 4340.0 nM 5.36 Antifungal activity against Fusarium solani incubated for 72 hrs 34954591
Pyricularia oryzae IC50 = 5000.0 nM 5.3 Antifungal activity against Pyricularia oryzae CGMCC 3.3283 after 48 hrs by Alam... 20408555

Literature References

PubMed DOI Target Context # Activities
- 10.1016/j.cropro.2012.04.001 Monilinia laxa 189
- 10.1016/j.cropro.2006.02.001 Colletotrichum truncatum 38
22522694 10.1002/ps.3283 Fusarium graminearum 28
11782195 10.1021/jf010748g Nicotiana tabacum 26
- 10.1016/j.cropro.2007.04.007 Colletotrichum acutatum 25
- 10.1016/j.cropro.2009.06.012 Sclerotinia sclerotiorum 19
22290833 10.1002/ps.2309 Neofusicoccum luteum 14
21077124 10.1002/ps.2050 Fusarium graminearum 11
- 10.1016/j.cropro.2012.12.009 Monilinia laxa 10
19319825 10.1002/ps.1752 Eleusine coracana 8
- 10.1016/j.cropro.2005.11.008 Rhizoctonia solani 6
22290833 10.1002/ps.2309 Diplodia mutila 6
22290833 10.1002/ps.2309 Neofusicoccum australe 6
30108882 10.1039/C7MD00209B Aspergillus niger 5
- 10.1016/j.cropro.2013.02.012 Helminthosporium 5
- 10.1016/j.cropro.2013.02.012 Alternaria alternata 5
- 10.1016/j.cropro.2013.02.012 Pestalotiopsis sp. 5
- 10.1016/j.cropro.2013.02.012 Colletotrichum acutatum 5
30108882 10.1039/C7MD00209B Fusarium oxysporum 5
30108882 10.1039/C7MD00209B Candida albicans 5

Data from ChEMBL 36 via Core Engine