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Compound Detail

CHEMBL365560

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N[C@H](C(=O)N1CC(F)(F)C1)C1CCCCC1

Basic Information

ChEMBL ID CHEMBL365560
Phase Preclinical
Structure Type MOL
InChI Key OGLBLGAIRWSAEG-VIFPVBQESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

232.3
MW (Da)
1.37
ALogP
2
HBA
1
HBD
46.3
PSA (Ų)
0.78
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 C11H18F2N2O
MW 232.27
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 0.05

Activity Summary

Ki 1 meas. best 6.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
Ki 6.93 6.93 117.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 Ki = 117.0 nM 6.93 Inhibitory constant against Dipeptidylpeptidase IV activity 16115768

Literature References

PubMed DOI Target Context # Activities
16115768 10.1016/j.bmcl.2005.07.026 Dipeptidyl peptidase 4 1
16115768 10.1016/j.bmcl.2005.07.026 Mus musculus 1

Data from ChEMBL 36 via Core Engine