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

CHEMBL1185793

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
N=C(N)Nc1ccc(C(=O)Oc2ccc(CC(=O)O)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185793
Phase Preclinical
Structure Type MOL
InChI Key XTKGXPFBKPYFDW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.3
MW (Da)
1.84
ALogP
4
HBA
4
HBD
125.5
PSA (Ų)
0.29
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3O4
MW 313.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.40

Activity Summary

IC50 1 meas. best 7.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transmembrane protease serine 2
CHEMBL1795140
 IC50 7.16 7.16 70.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transmembrane protease serine 2 IC50 = 70.0 nM 7.16 Inhibition of human TMPRSS2 37981443

Literature References

PubMed DOI Target Context # Activities
37981443 10.1016/j.ejmech.2023.115923 Transmembrane protease serine 2 1

Data from ChEMBL 36 via Core Engine