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

CHEMBL5639377

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
CCCCCCCCn1cc(O)c(=O)cc1C=O

Basic Information

ChEMBL ID CHEMBL5639377
Phase Preclinical
Structure Type MOL
InChI Key SZCZADLVULLSIV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

251.3
MW (Da)
2.73
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21NO3
MW 251.33
Aromatic Rings 1
Heavy Atoms 18
NP-Likeness 0.11

Activity Summary

IC50 1 meas. best 5.11

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Mushroom tyrosinase
CHEMBL6066154
IC50 5.11 5.11 7800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Mushroom tyrosinase IC50 = 7800.0 nM 5.11 Inhibition of mushroom Tyrosinase 37487307

Literature References

PubMed DOI Target Context # Activities
37487307 10.1016/j.ejmech.2023.115672 Mushroom tyrosinase 1

Data from ChEMBL 36 via Core Engine