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Compound Detail

CHEMBL17933

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CO[C@H]1c2ccc(O)cc2OC[C@H]1N1CCC(O)(c2ccc(F)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL17933
Phase Preclinical
Structure Type MOL
InChI Key REKPFQRGKMYOPA-QUCCMNQESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

373.4
MW (Da)
2.96
ALogP
5
HBA
2
HBD
62.2
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24FNO4
MW 373.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.68

Literature References

PubMed DOI Target Context # Activities
9544217 10.1021/jm9707986 Unchecked 1
9544217 10.1021/jm9707986 Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine