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Compound Detail

CHEMBL3414912

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Cn1cc(-c2cc(F)c3nnc(Cc4ccc5nc(N)sc5c4)n3c2)cn1

Basic Information

ChEMBL ID CHEMBL3414912
Phase Preclinical
Structure Type MOL
InChI Key FKMBTSMUOCRZDS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

379.4
MW (Da)
3.05
ALogP
8
HBA
1
HBD
86.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14FN7S
MW 379.42
Aromatic Rings 5
Heavy Atoms 27
NP-Likeness -2.34

Activity Summary

IC50 1 meas. best 7.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.28 7.28 52.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine