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Compound Detail

CHEMBL4651232

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CN1[C@H](COc2cccnc2F)C[C@H]2C[C@H]21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4651232
Phase Preclinical
Structure Type MOL
InChI Key ZKFJPGLUUMQAFH-LPEHRKFASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

222.3
MW (Da)
1.69
ALogP
3
HBA
0
HBD
25.4
PSA (Ų)
0.73
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 C12H15FN2O
MW 222.26
Aromatic Rings 1
Heavy Atoms 16
NP-Likeness -0.51

Data from ChEMBL 36 via Core Engine