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Compound Detail

CHEMBL254157

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Cc1ccccc1Nc1nccc(Nc2c(Cl)ccc3c2OCO3)n1

Basic Information

ChEMBL ID CHEMBL254157
Phase Preclinical
Structure Type MOL
InChI Key GWNOZDUVSICZMK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

354.8
MW (Da)
4.65
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H15ClN4O2
MW 354.80
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 4.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ephrin type-B receptor 4
CHEMBL5147
IC50 4.86 4.86 13960.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ephrin type-B receptor 4 IC50 = 13960.0 nM 4.86 Inhibition of EphB4 18434142

Literature References

PubMed DOI Target Context # Activities
18434142 10.1016/j.bmcl.2008.04.015 Ephrin type-B receptor 4 1

Data from ChEMBL 36 via Core Engine