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Compound Detail

CHEMBL5814595

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COc1ccc2ccc3c(c2c1)CC(N)C(c1ccc(F)cc1)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5814595
Phase Preclinical
Structure Type MOL
InChI Key ZWJRRDPSOYVUPP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

323.4
MW (Da)
3.99
ALogP
3
HBA
1
HBD
44.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18FNO2
MW 323.37
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 0.27

Activity Summary

IC50 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 4
CHEMBL284
 IC50 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 4 IC50 = 800.0 nM 6.1 Inhibition Activity Assay: Screening Method:Name of method: Activity Evaluation ... -

Data from ChEMBL 36 via Core Engine