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

CHEMBL364624

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=c1cc(C23CC4CC(CC(C4)C2)C3)oc2ccc(CO)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL364624
Phase Preclinical
Structure Type MOL
InChI Key JACCBKMEQHRQTB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

310.4
MW (Da)
3.75
ALogP
3
HBA
1
HBD
50.4
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22O3
MW 310.39
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 0.61

Activity Summary

Ki 1 meas. best 4.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Steryl-sulfatase
CHEMBL3559
 Ki 4.5 4.5 32000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Steryl-sulfatase Ki = 32000.0 nM 4.5 Inhibitory activity against human steroid sulfatase 15293998

Literature References

PubMed DOI Target Context # Activities
15293998 10.1021/jm0407916 Steryl-sulfatase 2
26974384 10.1016/j.ejmech.2016.02.054 Steryl-sulfatase 2

Data from ChEMBL 36 via Core Engine