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Compound Detail

CHEMBL1312403

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O=C(O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)c2cccc3nsnc23)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1312403
Phase Preclinical
Structure Type MOL
InChI Key OVLDLYXSHWRBOY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

446.5
MW (Da)
2.43
ALogP
7
HBA
2
HBD
129.6
PSA (Ų)
0.62
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 C19H18N4O5S2
MW 446.51
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -2.16

Activity Summary

EC50 1 meas. best 5.61

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 EC50 5.61 5.61 2444.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 EC50 = 2444.0 nM 5.61 PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... -

Data from ChEMBL 36 via Core Engine