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

CHEMBL1449334

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
CSc1nnc(-c2ccco2)c(-c2ccco2)n1

Basic Information

ChEMBL ID CHEMBL1449334
Phase Preclinical
Structure Type MOL
InChI Key SERAYZIPJKSYSO-UHFFFAOYSA-N
7
Targets
11
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
3.11
ALogP
6
HBA
0
HBD
65.0
PSA (Ų)
0.67
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 C12H9N3O2S
MW 259.29
Aromatic Rings 3
Heavy Atoms 18
NP-Likeness -1.65

Activity Summary

IC50 11 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Tyrosine-protein phosphatase non-receptor type 7
CHEMBL2219
IC50 5.98 5.18 1040.0 2
SUMO-activating enzyme
CHEMBL2095174
IC50 5.54 5.18 2910.0 2
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 5.1 4.99 8015.8 2
Nuclear receptor subfamily 4immunitygroup A member 1
CHEMBL1293229
IC50 4.71 4.71 19357.0 1
Dual specificity protein phosphatase 3
CHEMBL2635
IC50 4.53 4.53 29500.0 1
Dual specificity protein phosphatase 6
CHEMBL5511
IC50 4.09 4.045 80400.0 2
Glyceraldehyde-3-phosphate dehydrogenase
CHEMBL2284
IC50 4.0 4.0 99100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Tyrosine-protein phosphatase non-receptor type 7 IC50 = 1040.0 nM 5.98 PUBCHEM_BIOASSAY: MOA HePTP Fluorescent secondary assay for identification of re... -
SUMO-activating enzyme IC50 = 2910.0 nM 5.54 PUBCHEM_BIOASSAY: AlphaScreen confirmatory assay for validation of inhibitors of... -
Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 = 8015.84 nM 5.1 PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... -
Induced myeloid leukemia cell differentiation protein Mcl-1 IC50 = 13242.0 nM 4.88 PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... -
SUMO-activating enzyme IC50 = 15200.0 nM 4.82 PUBCHEM_BIOASSAY: uHTS HTRF assay for identification of inhibitors of SUMOylatio... -
Nuclear receptor subfamily 4immunitygroup A member 1 IC50 = 19357.0 nM 4.71 PUBCHEM_BIOASSAY: High Throughput Fluorescence Polarization Screen for Bcl-B Phe... -
Dual specificity protein phosphatase 3 IC50 = 29500.0 nM 4.53 PUBCHEM_BIOASSAY: SAR VHR1 Fluorescent Assay for In Vitro dose response studies.... -
Tyrosine-protein phosphatase non-receptor type 7 IC50 = 41500.0 nM 4.38 PUBCHEM_BIOASSAY: In Vitro HePTP Dose Response Colorimetric Assay for SAR Study.... -
Dual specificity protein phosphatase 6 IC50 = 80400.0 nM 4.09 PUBCHEM_BIOASSAY: MKP-3 in vitro secondary assay for identification of irreversi... -
Glyceraldehyde-3-phosphate dehydrogenase IC50 = 99100.0 nM 4.0 PUBCHEM_BIOASSAY: GAPDH Dose Response Colorimetric Assay. (Class of assay: confi... -
Dual specificity protein phosphatase 6 IC50 = 99700.0 nM 4.0 PUBCHEM_BIOASSAY: In Vitro MKP-3 Dose Response Assay for SAR Study. (Class of as... -

Data from ChEMBL 36 via Core Engine