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Compound Detail

CHEMBL3914584

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COc1cc2c(cc1C(=O)N(C)c1ccc(F)cc1)CC[C@H]1C(C)(C)[C@@H](O)CC[C@]21C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3914584
Phase Preclinical
Structure Type MOL
InChI Key UXMKAQNZDZVNMW-JCYRPKCISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

425.5
MW (Da)
5.11
ALogP
3
HBA
1
HBD
49.8
PSA (Ų)
0.74
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H32FNO3
MW 425.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 0.57

Literature References

PubMed DOI Target Context # Activities
27187855 10.1016/j.ejmech.2016.04.071 NON-PROTEIN TARGET 3

Data from ChEMBL 36 via Core Engine