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

CHEMBL189170

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
COc1ccc2c(=O)c(-c3ccccc3)c(SCc3ccccc3)oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL189170
Phase Preclinical
Structure Type MOL
InChI Key LRDBQWQKFHLBTR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
5.76
ALogP
4
HBA
0
HBD
39.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18O3S
MW 374.46
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -0.32

Literature References

PubMed DOI Target Context # Activities
15267241 10.1021/jm0306024 Aromatase 1

Data from ChEMBL 36 via Core Engine