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Compound Detail

CHEMBL6011250

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NC1Cc2c(ccc3ccc(=O)oc23)OC1c1cc(F)c(F)cc1F

Basic Information

ChEMBL ID CHEMBL6011250
Phase Preclinical
Structure Type MOL
InChI Key VDLCBXOLGSDMLW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

347.3
MW (Da)
3.21
ALogP
4
HBA
1
HBD
65.5
PSA (Ų)
0.54
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12F3NO3
MW 347.29
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.56

Activity Summary

IC50 1 meas. best 6.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
IC50 6.68 6.68 207.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 207.0 nM 6.68 Inhibition Activity Assay: Screening Method:Name of method: Activity Evaluation ... -

Data from ChEMBL 36 via Core Engine