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Compound Detail

CHEMBL3402758

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CN(C)CCCOc1cnc(-c2cccc(Cn3nc(-c4cccnc4)ccc3=O)c2)nc1

Basic Information

ChEMBL ID CHEMBL3402758
Phase Preclinical
Structure Type MOL
InChI Key UTRKTKXZUOHEGE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
3.14
ALogP
8
HBA
0
HBD
86.0
PSA (Ų)
0.37
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H26N6O2
MW 442.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.74

Activity Summary

IC50 2 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.0 7.775 10.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25736998 10.1016/j.bmcl.2015.02.002 Hepatocyte growth factor receptor 2
25736998 10.1016/j.bmcl.2015.02.002 No relevant target 1

Data from ChEMBL 36 via Core Engine