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Compound Detail

CHEMBL384066

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O=C(Nc1ccc2[nH]c(-c3cnn(-c4ccc(F)cc4)c3)nc2c1)c1ccccc1Cl

Basic Information

ChEMBL ID CHEMBL384066
Phase Preclinical
Structure Type MOL
InChI Key PEUHOGMONYOJND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

431.9
MW (Da)
5.46
ALogP
4
HBA
2
HBD
75.6
PSA (Ų)
0.40
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H15ClFN5O
MW 431.86
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -2.44

Activity Summary

EC50 1 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Photoreceptor-specific nuclear receptor
CHEMBL4374
EC50 5.39 5.39 4100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16879962 10.1016/j.bmcl.2006.07.056 Photoreceptor-specific nuclear receptor 2

Data from ChEMBL 36 via Core Engine