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Compound Detail

CHEMBL483662

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Cn1c(=O)c2c(nc(Cc3cccc(C(F)(F)F)c3)n2C)n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL483662
Phase Preclinical
Structure Type MOL
InChI Key PDAJOVYHIHMGNT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

352.3
MW (Da)
1.58
ALogP
6
HBA
0
HBD
61.8
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15F3N4O2
MW 352.32
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.45

Activity Summary

Ki 1 meas. best 4.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 4.01 4.01 97600.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 97600.0 nM 4.01 Inhibition of baboon liver mitochondrial monoamine oxidase B using 30 to 120 uM ... 18723354

Literature References

PubMed DOI Target Context # Activities
18723354 10.1016/j.bmc.2008.07.088 Unchecked 1

Data from ChEMBL 36 via Core Engine