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Compound Detail

CHEMBL3701254

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C=CC(=O)N1CC(n2nc(C#Cc3cc(OC)cc(OC)c3)c3c(N)ncnc32)C[C@H]1CO

Basic Information

ChEMBL ID CHEMBL3701254
Phase Preclinical
Structure Type MOL
InChI Key FJYGEUHEYMHEHG-LYKKTTPLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
1.15
ALogP
9
HBA
2
HBD
128.6
PSA (Ų)
0.44
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 C23H24N6O4
MW 448.48
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -0.39

Activity Summary

IC50 1 meas. best 8.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 2
CHEMBL4142
IC50 8.43 8.43 3.7 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine