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Compound Detail

CHEMBL3414745

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CC(=O)Nc1nc2ccc(Cc3nnc4c(F)cc(-c5cnn(C)c5)cn34)cc2s1

Basic Information

ChEMBL ID CHEMBL3414745
Phase Preclinical
Structure Type MOL
InChI Key RYEFJCNUDASWPH-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

421.5
MW (Da)
3.43
ALogP
8
HBA
1
HBD
90.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16FN7OS
MW 421.46
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -2.54

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25699405 10.1021/jm501913a Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine