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Compound Detail

CHEMBL5171999

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Cn1cc(-c2cnc3ccc(CCn4nc(-c5cccc(N)c5)ccc4=O)cc3c2)cn1

Basic Information

ChEMBL ID CHEMBL5171999
Phase Preclinical
Structure Type MOL
InChI Key MHKFJBJXUFZGNK-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

422.5
MW (Da)
3.68
ALogP
7
HBA
1
HBD
91.6
PSA (Ų)
0.44
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H22N6O
MW 422.49
Aromatic Rings 5
Heavy Atoms 32
NP-Likeness -1.82

Activity Summary

IC50 2 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.06 8.06 8.7 1
Hs746T
CHEMBL614579
IC50 6.21 6.21 623.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36355693 10.1021/acs.jmedchem.2c00981 Hepatocyte growth factor receptor 1
36355693 10.1021/acs.jmedchem.2c00981 Hs746T 1

Data from ChEMBL 36 via Core Engine