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

CHEMBL1308898

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=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1308898
Phase Preclinical
Structure Type MOL
InChI Key SZEJCYRSPJKVSH-UHFFFAOYSA-N
3
Targets
8
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

326.9
MW (Da)
4.84
ALogP
5
HBA
1
HBD
42.0
PSA (Ų)
0.75
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 C12H7ClN2OS3
MW 326.86
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -3.11

Activity Summary

EC50 5 meas. best 5.99
IC50 3 meas. best 5.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 EC50 5.99 5.085 1036.0 4
H4
CHEMBL1075452
 EC50 5.3 5.3 5028.0 1
Protein skinhead-1
CHEMBL2146298
 IC50 5.18 4.5 6630.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked EC50 = 1036.0 nM 5.99 PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... -
H4 EC50 = 5028.0 nM 5.3 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... -
Protein skinhead-1 IC50 = 6630.0 nM 5.18 PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... -
Unchecked EC50 = 8502.0 nM 5.07 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... -
Unchecked EC50 = 15055.0 nM 4.82 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS to Identify Activato... -
Unchecked EC50 = 34260.0 nM 4.46 PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Acti... -
Protein skinhead-1 IC50 = 58900.0 nM 4.23 PubChem BioAssay. SAR analysis of small molecule inhibitors of SKN-1 in a fluore... -
Protein skinhead-1 IC50 = 81250.0 nM 4.09 PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... -

Data from ChEMBL 36 via Core Engine