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Compound Detail

CHEMBL3334566

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c1cn2cc(Cn3nnc4ncc(N5CCOCC5)nc43)ccc2n1

Basic Information

ChEMBL ID CHEMBL3334566
Phase Preclinical
Structure Type MOL
InChI Key FOAJIFMQJFGRJZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
0.75
ALogP
9
HBA
0
HBD
86.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16N8O
MW 336.36
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -2.33

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 6.1 6.1 787.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
25148209 10.1021/jm500510f Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine