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Compound Detail

CHEMBL4459663

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COc1ncc(F)cc1[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4459663
Phase Preclinical
Structure Type MOL
InChI Key VHOLGUPBIVPOIB-GXTWGEPZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.3
MW (Da)
2.43
ALogP
7
HBA
0
HBD
79.3
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14F2N6O
MW 356.34
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
31077998 10.1016/j.ejmech.2019.04.053 High affinity nerve growth factor receptor 1

Data from ChEMBL 36 via Core Engine