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Compound Detail

CHEMBL4598087

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O=C(O)[C@H]1C2CCC(C3CC32)[C@@H]1Nc1nc(-c2c[nH]c3ncc(F)cc23)ncc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4598087
Phase Preclinical
Structure Type MOL
InChI Key GXRRJJRTIPTRDW-TYOAOKRTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

411.4
MW (Da)
3.46
ALogP
5
HBA
3
HBD
103.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19F2N5O2
MW 411.41
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.36

Data from ChEMBL 36 via Core Engine