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Compound Detail

CHEMBL2071448

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CC(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl

Basic Information

ChEMBL ID CHEMBL2071448
Phase Preclinical
Structure Type MOL
InChI Key SJNLAUPYSAFIFO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

408.3
MW (Da)
4.00
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.64
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 C18H16Cl2FN5O
MW 408.26
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.83

Activity Summary

IC50 2 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.55 6.55 280.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22863529 10.1016/j.bmc.2012.07.007 Hepatocyte growth factor receptor 1
22863529 10.1016/j.bmc.2012.07.007 NON-PROTEIN TARGET 1
23993328 10.1016/j.bmc.2013.07.032 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine