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Compound Detail

CHEMBL496101

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Oc1ccc(Cc2nnc3ccc(-c4ccccc4)cn23)cc1

Basic Information

ChEMBL ID CHEMBL496101
Phase Preclinical
Structure Type MOL
InChI Key AIZTYZRNBCCRMR-UHFFFAOYSA-N
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
3.69
ALogP
4
HBA
1
HBD
50.4
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 C19H15N3O
MW 301.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -1.04

Activity Summary

IC50 3 meas. best 5.68
Ki 1 meas. best 5.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
Ki 5.91 5.91 1231.2 1
Hepatocyte growth factor receptor
CHEMBL3717
IC50 5.68 5.68 2100.0 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
25699405 10.1021/jm501913a Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine