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Compound Detail

CHEMBL2032036

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COc1cc2nccc(Oc3ccc(NC(=O)C4CCN(Cc5ccccc5)C4=O)cc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL2032036
Phase Preclinical
Structure Type MOL
InChI Key FAFVLTUTYIQUIY-UHFFFAOYSA-N
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

515.5
MW (Da)
5.17
ALogP
6
HBA
1
HBD
90.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H26FN3O5
MW 515.54
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.18

Activity Summary

IC50 1 meas. best 5.95
Ki 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 7.22 7.22 60.2 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 5.95 5.95 1111.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
22320343 10.1021/jm201330u Hepatocyte growth factor receptor 2

Data from ChEMBL 36 via Core Engine