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Compound Detail

CHEMBL498769

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Oc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1

Basic Information

ChEMBL ID CHEMBL498769
Phase Preclinical
Structure Type MOL
InChI Key KJLXDZHLCUBLIX-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

303.3
MW (Da)
2.48
ALogP
6
HBA
1
HBD
76.2
PSA (Ų)
0.63
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 C17H13N5O
MW 303.33
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.15

Activity Summary

IC50 3 meas. best 8.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.22 8.22 6.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18426196 10.1021/jm800043g Hepatocyte growth factor receptor 1
21641696 10.1016/j.ejmech.2011.05.031 Hepatocyte growth factor receptor 1
29157685 10.1016/j.ejmech.2017.08.044 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine