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Compound Detail

CHEMBL3763291

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CC1(C)CCC[C@@]2(C)C1=C[C@H]1C(=O)O[C@H](c3ccccc3F)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3763291
Phase Preclinical
Structure Type MOL
InChI Key GHRUKROMASDHJT-UDUZWTERSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
4.81
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H23FO2
MW 314.40
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness 1.02

Literature References

PubMed DOI Target Context # Activities
- 10.1039/C5MD00289C NON-PROTEIN TARGET 3
- 10.1039/C5MD00289C A549 1

Data from ChEMBL 36 via Core Engine