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Compound Detail

CHEMBL1727199

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COC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1cccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1727199
Phase Preclinical
Structure Type MOL
InChI Key PQDZHGRGDGXCIO-MDZDMXLPSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.5
MW (Da)
4.92
ALogP
5
HBA
1
HBD
55.4
PSA (Ų)
0.51
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15NO3S2
MW 369.47
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.64

Activity Summary

IC50 1 meas. best 5.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
SUMO E1/E2
CHEMBL3137290
 IC50 5.22 5.22 6000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
SUMO E1/E2 IC50 = 6000.0 nM 5.22 PUBCHEM_BIOASSAY: SAR analysis of SUMOylation using HTRF in an in-Vitro dose res... -

Data from ChEMBL 36 via Core Engine