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Compound Detail

CHEMBL3813717

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CNc1ncnc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)c1/C=N/OC

Basic Information

ChEMBL ID CHEMBL3813717
Phase Preclinical
Structure Type MOL
InChI Key UZCWBLUZUMDXML-PNQUVVCRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

496.5
MW (Da)
3.93
ALogP
8
HBA
3
HBD
126.8
PSA (Ų)
0.23
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H22F2N6O4
MW 496.47
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
27068889 10.1016/j.bmc.2016.03.061 No relevant target 1
27068889 10.1016/j.bmc.2016.03.061 NON-PROTEIN TARGET 1
27068889 10.1016/j.bmc.2016.03.061 HUVEC 1
27068889 10.1016/j.bmc.2016.03.061 Hepatocyte growth factor receptor 1
27068889 10.1016/j.bmc.2016.03.061 Vascular endothelial growth factor receptor 2 1

Data from ChEMBL 36 via Core Engine