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Compound Detail

CHEMBL3417494

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COc1ccc2ccn(-c3ccc(=O)n(Cc4cccc(NC(=O)OCCCCN(C)C)c4)n3)c2c1

Basic Information

ChEMBL ID CHEMBL3417494
Phase Preclinical
Structure Type MOL
InChI Key KUVASXUIJUJUCO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
4.13
ALogP
8
HBA
1
HBD
90.6
PSA (Ų)
0.34
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H31N5O4
MW 489.58
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.53

Activity Summary

IC50 1 meas. best 6.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.23 6.23 583.0 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

Data from ChEMBL 36 via Core Engine