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Compound Detail

CHEMBL3417483

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CN1CCN(CCCCCOC(=O)Nc2cccc(Cn3nc(-n4ccc5ccc(F)cc54)ccc3=O)c2)CC1

Basic Information

ChEMBL ID CHEMBL3417483
Phase Preclinical
Structure Type MOL
InChI Key RQBZZEDXQSBJPJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

546.6
MW (Da)
4.34
ALogP
8
HBA
1
HBD
84.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35FN6O3
MW 546.65
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine