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Compound Detail

CHEMBL3084646

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C=CCN1[C@@H]2CC[C@H]1C[C@@H](OC(c1ccc(F)cc1)c1ccc(F)cc1)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3084646
Phase Preclinical
Structure Type MOL
InChI Key WDOKGNOTOAMJEX-ZBYYUNFXSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
5.25
ALogP
2
HBA
0
HBD
12.5
PSA (Ų)
0.64
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25F2NO
MW 369.46
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.28

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19419864 10.1016/j.bmcl.2009.03.164 Unchecked 1

Data from ChEMBL 36 via Core Engine