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Compound Detail

CHEMBL169854

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COc1cc2nccc(Oc3ccc(Nc4ccc(C(C)(C)C)cc4)c(C)c3)c2cc1OC

Basic Information

ChEMBL ID CHEMBL169854
Phase Preclinical
Structure Type MOL
InChI Key CIPUKNGOIHCNMI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.6
MW (Da)
7.39
ALogP
5
HBA
1
HBD
52.6
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H30N2O3
MW 442.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -0.89

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
15012985 10.1016/j.bmcl.2003.12.019 Fibroblast growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine