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Compound Detail

CHEMBL5756206

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NC1Cc2cc(O)ccc2OC1c1cc(F)c(F)cc1F

Basic Information

ChEMBL ID CHEMBL5756206
Phase Preclinical
Structure Type MOL
InChI Key UUBOOJYGJIQTCU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

295.3
MW (Da)
2.81
ALogP
3
HBA
2
HBD
55.5
PSA (Ų)
0.80
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H12F3NO2
MW 295.26
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.35

Activity Summary

IC50 1 meas. best 6.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
IC50 6.55 6.55 283.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 283.0 nM 6.55 Inhibition Activity Assay: Screening Method:Name of method: Activity Evaluation ... -

Data from ChEMBL 36 via Core Engine