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Compound Detail

CHEMBL183979

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C[C@H](NC(=O)/C=C/c1c(F)cccc1F)c1ccc2c(c1)CCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL183979
Phase Preclinical
Structure Type MOL
InChI Key OBSVUPFXSREGIN-WMADIVHISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.4
MW (Da)
3.79
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.87
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 C19H17F2NO2
MW 329.35
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.00

Activity Summary

EC50 1 meas. best 6.48

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 EC50 6.48 6.48 330.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 EC50 = 330.0 nM 6.48 Effective concentration against whole-cell patch clamp from mouse HEK293 cells 15357987

Literature References

PubMed DOI Target Context # Activities
15357987 10.1016/j.bmcl.2004.06.035 HEK293 1

Data from ChEMBL 36 via Core Engine