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Compound Detail

CHEMBL3582305

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CNC(=O)c1ccc(-c2cnc3nnc(Cc4ccc5ncccc5c4)n3n2)cc1F

Basic Information

ChEMBL ID CHEMBL3582305
Phase Preclinical
Structure Type MOL
InChI Key AXBANCDWRYXEBP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.4
MW (Da)
2.82
ALogP
7
HBA
1
HBD
98.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H16FN7O
MW 413.42
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -1.87

Activity Summary

IC50 1 meas. best 9.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 9.89 9.89 0.1 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
26005523 10.1021/ml5004876 Hepatocyte growth factor receptor 1

Data from ChEMBL 36 via Core Engine