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Compound Detail

CHEMBL3260966

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COc1cc2nccc(Oc3ccc(NC(=O)c4c(I)ccn(-c5ccc(F)cc5)c4=O)cc3F)c2cc1OC

Basic Information

ChEMBL ID CHEMBL3260966
Phase Preclinical
Structure Type MOL
InChI Key YARRECJIJYGRPI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

655.4
MW (Da)
6.33
ALogP
7
HBA
1
HBD
91.7
PSA (Ų)
0.21
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H20F2IN3O5
MW 655.39
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.24

Activity Summary

IC50 1 meas. best 9.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 9.15 9.15 0.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24792774 10.1016/j.ejmech.2014.04.056 BaF3 2
24792774 10.1016/j.ejmech.2014.04.056 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine