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Compound Detail

CHEMBL3260962

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O=C(Nc1ccc(Oc2ncnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O

Basic Information

ChEMBL ID CHEMBL3260962
Phase Preclinical
Structure Type MOL
InChI Key WTOODTUDJHPCPW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

459.4
MW (Da)
4.43
ALogP
6
HBA
2
HBD
101.9
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H15F2N5O3
MW 459.41
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.83

Activity Summary

IC50 1 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 7.7 7.7 20.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
24792774 10.1016/j.ejmech.2014.04.056 Hepatocyte growth factor receptor 1
24792774 10.1016/j.ejmech.2014.04.056 BaF3 1

Data from ChEMBL 36 via Core Engine