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Compound Detail

CHEMBL4529638

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COC(=O)c1ccc(-c2cnc3ncn(C(C)c4ccc5ncccc5c4C)c3n2)cc1F

Basic Information

ChEMBL ID CHEMBL4529638
Phase Preclinical
Structure Type MOL
InChI Key RXPJUSVEZJBXHS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

441.5
MW (Da)
4.88
ALogP
7
HBA
0
HBD
82.8
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H20FN5O2
MW 441.47
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -1.18

Activity Summary

EC50 1 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
EC50 8.23 8.23 5.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
27448775 10.1016/j.bmc.2016.07.019 Hepatocyte growth factor receptor 1
27448775 10.1016/j.bmc.2016.07.019 NCI-H1993 1

Data from ChEMBL 36 via Core Engine