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Compound Detail

CHEMBL476811

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Cn1c(=O)n(CC(=O)N(CCF)Cc2ccccc2)c2nc(-c3ccccc3)ncc21

Basic Information

ChEMBL ID CHEMBL476811
Phase Preclinical
Structure Type MOL
InChI Key UKGQKDFXYMGKDT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

419.5
MW (Da)
2.80
ALogP
6
HBA
0
HBD
73.0
PSA (Ų)
0.46
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H22FN5O2
MW 419.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.67

Activity Summary

Ki 1 meas. best 9.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Translocator protein
CHEMBL4552
Ki 9.29 9.29 0.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Translocator protein Ki = 0.51 nM 9.29 Displacement of [11C]PK11195 from PBR receptor in rat brain membrane 19217778

Literature References

PubMed DOI Target Context # Activities
19217778 10.1016/j.bmcl.2009.01.093 Translocator protein 1
19217778 10.1016/j.bmcl.2009.01.093 Unchecked 1
19217778 10.1016/j.bmcl.2009.01.093 No relevant target 1

Data from ChEMBL 36 via Core Engine