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

CHEMBL4564908

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
O=C(Cc1ccccc1)NC(C(=O)NO)c1ccc(-c2cc(F)c(F)c(F)c2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4564908
Phase Preclinical
Structure Type MOL
InChI Key FHHYXNVHBSDHNP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.68
ALogP
3
HBA
3
HBD
78.4
PSA (Ų)
0.33
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H17F3N2O3
MW 414.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.95

Activity Summary

Ki 1 meas. best 5.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aminopeptidase N
CHEMBL1907
 Ki 5.36 5.36 4420.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aminopeptidase N Ki = 4420.0 nM 5.36 Inhibition of soluble human APN ectodomain stably expressed in HEK293 GnTI(-) ce... 31251594

Literature References

PubMed DOI Target Context # Activities
31251594 10.1021/acs.jmedchem.9b00757 Aminopeptidase N 1

Data from ChEMBL 36 via Core Engine