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Compound Detail

CHEMBL283344

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CN1CCN(Cc2cc(Nc3cc(-c4ccc(F)cc4)nc4ccccc34)ccc2O)CC1

Basic Information

ChEMBL ID CHEMBL283344
Phase Preclinical
Structure Type MOL
InChI Key DLNAFUCSQOMWRU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

442.5
MW (Da)
5.24
ALogP
5
HBA
2
HBD
51.6
PSA (Ų)
0.41
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H27FN4O
MW 442.54
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.21

Activity Summary

EC50 1 meas. best 7.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 7.67 7.67 21.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 21.38 nM 7.67 Ability to reverse action of CpG-ODN on WEHI 231 murine B-cell lymphoma cells 12646034

Literature References

PubMed DOI Target Context # Activities
12646034 10.1021/jm020374y NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine