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Compound Detail

CHEMBL4554402

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FC(F)(F)Oc1ccc(-c2cnc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1

Basic Information

ChEMBL ID CHEMBL4554402
Phase Preclinical
Structure Type MOL
InChI Key SFTJCCFZUCSLST-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
4.99
ALogP
6
HBA
0
HBD
65.7
PSA (Ų)
0.41
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 C22H14F3N5O
MW 421.38
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.40

Activity Summary

EC50 1 meas. best 7.09

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
EC50 7.09 7.09 81.2 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