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

CHEMBL1604696

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
CCNc1nc(-c2cc3ccccc3o2)cs1

Basic Information

ChEMBL ID CHEMBL1604696
Phase Preclinical
Structure Type MOL
InChI Key XSYQQTPYYMMRDN-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
3.99
ALogP
4
HBA
1
HBD
38.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2OS
MW 244.32
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.35

Activity Summary

EC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Signal transducer and activator of transcription 1-alpha/beta
CHEMBL6101
EC50 6.75 6.75 179.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine