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

CHEMBL346952

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
CSC1=C2CCC3C4CCC(=O)C4(C)CCC3C2(C)CCC1=O

Basic Information

ChEMBL ID CHEMBL346952
Phase Preclinical
Structure Type MOL
InChI Key BZYIICZUVPPSEB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.5
MW (Da)
4.78
ALogP
3
HBA
0
HBD
34.1
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H28O2S
MW 332.51
Aromatic Rings 0
Heavy Atoms 23
NP-Likeness 1.71

Activity Summary

Ki 1 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aromatase
CHEMBL1978
Ki 7.23 7.23 59.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Aromatase Ki = 59.0 nM 7.23 Evaluated for its competitive inhibitory activity against Cytochrome P450 19A1 w... 3959033

Literature References

PubMed DOI Target Context # Activities
3959033 10.1021/jm00154a025 Aromatase 4

Data from ChEMBL 36 via Core Engine