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Compound Detail

CHEMBL3417488

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COc1cnc(-c2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)nc1

Basic Information

ChEMBL ID CHEMBL3417488
Phase Preclinical
Structure Type MOL
InChI Key NBQKTJYWVFVDQQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

427.4
MW (Da)
3.84
ALogP
7
HBA
0
HBD
74.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H18FN5O2
MW 427.44
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 7.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.97 7.97 10.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25827399 10.1016/j.ejmech.2015.03.041 NON-PROTEIN TARGET 2
25827399 10.1016/j.ejmech.2015.03.041 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine