Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6014994

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
NC(=O)C[C@H](N)C(=O)N1Cc2ccc(F)cc2C1

Basic Information

ChEMBL ID CHEMBL6014994
Phase Preclinical
Structure Type MOL
InChI Key JFAUHVRTMNJMTF-JTQLQIEISA-N
1
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
-0.13
ALogP
3
HBA
2
HBD
89.4
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14FN3O2
MW 251.26
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness -1.00

Activity Summary

IC50 6 meas. best 6.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Dipeptidyl peptidase 9
CHEMBL4793
IC50 6.33 6.33 468.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Dipeptidyl peptidase 9 IC50 = 468.0 nM 6.33 EnPlex (purified enzyme activity assay): This assay is described in Bachovchin e... -

Data from ChEMBL 36 via Core Engine