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Compound Detail

CHEMBL256724

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Fc1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1

Basic Information

ChEMBL ID CHEMBL256724
Phase Preclinical
Structure Type MOL
InChI Key SOFXCIXLIWYDGQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.8
MW (Da)
4.49
ALogP
6
HBA
2
HBD
68.3
PSA (Ų)
0.72
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 C17H12ClFN4O2
MW 358.76
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.94

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ephrin type-B receptor 4
CHEMBL5147
IC50 5.94 5.94 1150.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ephrin type-B receptor 4 IC50 = 1150.0 nM 5.94 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