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

CHEMBL4459260

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=C1N=C(N2CCCC2)S/C1=C/c1ccc(O)cc1O

Basic Information

ChEMBL ID CHEMBL4459260
Phase Preclinical
Structure Type MOL
InChI Key GZYBOZPAFOMTQK-KPKJPENVSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

290.3
MW (Da)
2.16
ALogP
5
HBA
2
HBD
73.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14N2O3S
MW 290.34
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -0.99

Activity Summary

IC50 2 meas. best 4.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transcription factor SOX-18
CHEMBL4523228
IC50 4.6 4.6 25000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Transcription factor SOX-18 IC50 = 25000.0 nM 4.6 Inhibition of mouse SOX18 expressed in African green monkey COS7 cells assessed ... -

Data from ChEMBL 36 via Core Engine