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Compound Detail

CHEMBL1569226

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O=C(CCl)c1ccc(Cl)cc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1569226
Phase Preclinical
Structure Type MOL
InChI Key VYWPPRLJNVHPEU-UHFFFAOYSA-N
1
Targets
14
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

223.5
MW (Da)
3.41
ALogP
1
HBA
0
HBD
17.1
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H5Cl3O
MW 223.49
Aromatic Rings 1
Heavy Atoms 12
NP-Likeness -1.41

Activity Summary

IC50 14 meas. best 6.46

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 6.46 5.8036 350.0 14

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 350.0 nM 6.46 PubChem BioAssay. Decreased HeLa cell count-IC50. (Class of assay: confirmator... -
Unchecked IC50 = 372.8 nM 6.43 PubChem BioAssay. nuclear beta catenin stimulation in WNT3A conditioned C2C12 ce... -
Unchecked IC50 = 514.0 nM 6.29 PubChem BioAssay. Increased HeLa cells with 2N DNA content-IC50. (Class of ass... -
Unchecked IC50 = 530.12 nM 6.28 PubChem BioAssay. Colo320 viability from Cell TiterGlo-IC50. (Class of assay: ... -
Unchecked IC50 = 541.0 nM 6.27 PubChem BioAssay. Increased chromatin condensation in HeLa cells-IC50. (Class ... -
Unchecked IC50 = 1098.34 nM 5.96 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 1248.75 nM 5.9 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 2065.1 nM 5.68 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 2487.5 nM 5.6 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture CD31-stained tube area de... -
Unchecked IC50 = 2975.2 nM 5.53 PubChem BioAssay. SNU-C1 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 4298.51 nM 5.37 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -
Unchecked IC50 = 6173.9 nM 5.21 PubChem BioAssay. VEGF stimulated ADSC/ECFC co-culture nuclear area decrease (vi... -
Unchecked IC50 = 6299.95 nM 5.2 PubChem BioAssay. HCT116 viability from Cell TiterGlo-IC50. (Class of assay: c... -
Unchecked IC50 = 8521.7 nM 5.07 PubChem BioAssay. HT-29 viability from Cell TiterGlo-IC50. (Class of assay: co... -

Data from ChEMBL 36 via Core Engine