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Compound Detail

CHEMBL582925

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COc1cc2nccc(Oc3ccc(NC(=O)N4CCN(C5CCCCC5)C4=O)cc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL582925
Phase Preclinical
Structure Type MOL
InChI Key JHUZYTFKCRADAF-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

508.6
MW (Da)
5.79
ALogP
6
HBA
1
HBD
93.2
PSA (Ų)
0.45
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 C27H29FN4O5
MW 508.55
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.10

Activity Summary

IC50 3 meas. best 6.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.96 6.515 110.0 2
Unchecked
CHEMBL612545
IC50 6.68 6.68 210.0 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