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Compound Detail

CHEMBL4567838

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Cc1noc(C)c1-c1cc(Cl)c(Nc2ccccc2C(=O)NO)c(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4567838
Phase Preclinical
Structure Type MOL
InChI Key ILHNIWOZZKIBNW-UHFFFAOYSA-N
4
Targets
11
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

392.2
MW (Da)
5.13
ALogP
5
HBA
3
HBD
87.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15Cl2N3O3
MW 392.24
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.30

Activity Summary

IC50 11 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MONO-MAC-6
CHEMBL2366062
 IC50 6.1 6.1 800.0 1
NB-4
CHEMBL614188
 IC50 6.1 5.9075 800.0 4
Unchecked
CHEMBL612545
 IC50 5.82 5.4 1500.0 2
Alpha-ketoglutarate-dependent dioxygenase FTO
CHEMBL2331065
 IC50 5.8 5.635 1600.0 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NB-4 IC50 = 800.0 nM 6.1 Cytotoxicity against human NB4 cells assessed as inhibition of cell growth incub... -
NB-4 IC50 = 800.0 nM 6.1 Antiproliferative activity against human NB-4 cells 32330741
MONO-MAC-6 IC50 = 800.0 nM 6.1 Antiproliferative activity against human MONO-MAC-6 cells 32330741
NB-4 IC50 = 800.0 nM 6.1 Antiproliferative activity against human NB4 cells measured after 72 hrs by cell... 37974948
Unchecked IC50 = 1500.0 nM 5.82 Cytotoxicity against human MM6 cells assessed as inhibition of cell growth incub... -
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 1600.0 nM 5.8 Inhibition of FTO (unknown origin) assessed as reduction in demethylation using ... -
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 2600.0 nM 5.58 Inhibition of FTO (unknown origin) demethylation activity using m6A7-Broccoli RN... 34792334
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 2600.0 nM 5.58 Inhibition of FTO (unknown origin) mediated m6A methylation by HPLC analysis 32330741
Alpha-ketoglutarate-dependent dioxygenase FTO IC50 = 2600.0 nM 5.58 Inhibition of N-terminal FTO (unknown origin) 38805939
NB-4 IC50 = 4700.0 nM 5.33 Cytotoxicity against human NB4 cells assessed as inhibition of cell growth incub... -
Unchecked IC50 = 10400.0 nM 4.98 Cytotoxicity against human MM6 cells assessed as inhibition of cell growth incub... -

Literature References

PubMed DOI Target Context # Activities
34792334 10.1021/acs.jmedchem.1c01694 Alpha-ketoglutarate-dependent dioxygenase FTO 1
32330741 10.1016/j.ejmech.2020.112325 Alpha-ketoglutarate-dependent dioxygenase FTO 1
32330741 10.1016/j.ejmech.2020.112325 NB-4 1
32330741 10.1016/j.ejmech.2020.112325 MONO-MAC-6 1
37974948 10.1021/acsmedchemlett.3c00353 NB-4 1
38805939 10.1016/j.ejmech.2024.116526 Alpha-ketoglutarate-dependent dioxygenase FTO 1
38805939 10.1016/j.ejmech.2024.116526 Unchecked 1

Data from ChEMBL 36 via Core Engine