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Compound Detail

CHEMBL151999

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CC(C)c1cccc(C(C)C)c1N1C(=O)c2c(F)c(F)c(F)c(F)c2C1=S

Basic Information

ChEMBL ID CHEMBL151999
Phase Preclinical
Structure Type MOL
InChI Key YYDIYVZHDUOXFZ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
5.83
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17F4NOS
MW 395.42
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.50

Activity Summary

IC50 2 meas. best 4.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
IC50 4.54 4.54 28800.0 1
Dipeptidyl peptidase 4
CHEMBL284
IC50 4.52 4.52 30400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
10098663 10.1016/s0960-894x(99)00034-7 Dipeptidyl peptidase 4 2
10098663 10.1016/s0960-894x(99)00034-7 Aminopeptidase N 2
10098663 10.1016/s0960-894x(99)00034-7 NON-PROTEIN TARGET 2

Data from ChEMBL 36 via Core Engine