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Compound Detail

CHEMBL5857197

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NC1Cc2c(ccc3cc(OC=O)ccc23)OC1c1cc(F)c(F)cc1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5857197
Phase Preclinical
Structure Type MOL
InChI Key VFXKFNHGSQLCIW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

373.3
MW (Da)
3.80
ALogP
4
HBA
1
HBD
61.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H14F3NO3
MW 373.33
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness 0.45

Activity Summary

IC50 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 18.0 nM 7.75 Inhibition Activity Assay: Screening Method:Name of method: Activity Evaluation ... -

Data from ChEMBL 36 via Core Engine