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Compound Detail

CHEMBL3199814

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Cc1ccc(S(=O)(=O)/N=C(\Sc2ccccc2)c2ccccc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3199814
Phase Preclinical
Structure Type MOL
InChI Key HSJMOYSGKJQCOK-MRCUWXFGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

367.5
MW (Da)
4.92
ALogP
3
HBA
0
HBD
46.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H17NO2S2
MW 367.50
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.08

Activity Summary

EC50 1 meas. best 6.08

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
General amino acid permease AGP1
CHEMBL1741178
 EC50 6.08 6.08 822.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
General amino acid permease AGP1 EC50 = 822.0 nM 6.08 PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... -

Data from ChEMBL 36 via Core Engine