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Compound Detail

CHEMBL4099027

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Cc1ccc(C(=O)N(N=C2C(Cl)=C(Cl)C(Cl)=C2Cl)C(=O)c2ccc(C)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4099027
Phase Preclinical
Structure Type MOL
InChI Key YLQSYGKUCFOBNZ-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

468.2
MW (Da)
6.33
ALogP
3
HBA
0
HBD
49.7
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H14Cl4N2O2
MW 468.17
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.49

Activity Summary

IC50 4 meas. best 6.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MM1.S
CHEMBL4296471
 IC50 6.3 6.3 500.0 2
RPMI-8226
CHEMBL614882
 IC50 6.3 6.3 500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MM1.S IC50 = 500.0 nM 6.3 Cytotoxicity against human MM1S cells after 48 hrs by MTT assay 28916338
RPMI-8226 IC50 = 500.0 nM 6.3 Cytotoxicity against human RPMI8226 cells after 48 hrs by MTT assay 28916338
MM1.S IC50 = 500.0 nM 6.3 Cytotoxicity in human MM1S cells incubated for 48 hrs by MTT assay -
RPMI-8226 IC50 = 500.0 nM 6.3 Cytotoxicity in human RPMI8226 cells incubated for 48 hrs by MTT assay -

Literature References

PubMed DOI Target Context # Activities
28916338 10.1016/j.bmcl.2017.09.002 MM1.S 1
28916338 10.1016/j.bmcl.2017.09.002 RPMI-8226 1
28916338 10.1016/j.bmcl.2017.09.002 DEP domain-containing mTOR-interacting protein 1

Data from ChEMBL 36 via Core Engine