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Compound Detail

CHEMBL4114720

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C/C(=N\N1CCOC1=O)c1ccc2ncc(Cc3cc4cccnc4cc3F)n2n1

Basic Information

ChEMBL ID CHEMBL4114720
Phase Preclinical
Structure Type MOL
InChI Key JBXQWVZAYUTQLW-DHRITJCHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.4
MW (Da)
3.18
ALogP
7
HBA
0
HBD
85.0
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 C21H17FN6O2
MW 404.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.50

Activity Summary

IC50 1 meas. best 8.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Hepatocyte growth factor receptor
CHEMBL3717
IC50 8.52 8.52 3.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine