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

CHEMBL90598

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=Cc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1

Basic Information

ChEMBL ID CHEMBL90598
Phase Preclinical
Structure Type MOL
InChI Key YAEGPDBHSBKYRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
4.83
ALogP
5
HBA
0
HBD
34.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H8O2S3
MW 304.42
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 6.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.52 6.52 300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 300.0 nM 6.52 Inhibition of protein kinase C(1:1mixture of PKC alpha & beta) expressed in Sf9 ... 9873605

Literature References

PubMed DOI Target Context # Activities
9873605 10.1016/s0960-894x(98)00468-5 Unchecked 1

Data from ChEMBL 36 via Core Engine