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Compound Detail

CHEMBL574406

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COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(c5ccncc5)C4=O)cc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL574406
Phase Preclinical
Structure Type MOL
InChI Key CGGKLARTSKGIPF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.5
MW (Da)
5.05
ALogP
7
HBA
1
HBD
106.1
PSA (Ų)
0.39
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H22FN5O5
MW 503.49
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.37

Activity Summary

IC50 3 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.0 6.6 100.0 2
Unchecked
CHEMBL612545
IC50 6.22 6.22 600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19854051 10.1016/j.bmcl.2009.10.040 Hepatocyte growth factor receptor 2
19854051 10.1016/j.bmcl.2009.10.040 Unchecked 1

Data from ChEMBL 36 via Core Engine