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Compound Detail

CHEMBL1254695

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O=C1C(Cc2ccccc2F)CNCC1Cc1ccccc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1254695
Phase Preclinical
Structure Type MOL
InChI Key VDLGLERMFJOPQZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.4
MW (Da)
3.15
ALogP
2
HBA
1
HBD
29.1
PSA (Ų)
0.94
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H19F2NO
MW 315.36
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.23

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
20638855 10.1016/j.bmc.2010.06.055 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine