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Compound Detail

CHEMBL1732485

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O=C(CSc1nc(N2CCOCC2)nc(N2CCOCC2)n1)Nc1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1732485
Phase Preclinical
Structure Type MOL
InChI Key ZDXYPQGWMFNRRG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

461.5
MW (Da)
1.18
ALogP
11
HBA
1
HBD
135.8
PSA (Ų)
0.36
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23N7O5S
MW 461.50
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.99

Activity Summary

EC50 1 meas. best 4.67

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
HEK293
CHEMBL614818
 EC50 4.67 4.67 21215.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
HEK293 EC50 = 21215.0 nM 4.67 PUBCHEM_BIOASSAY: Counterscreen for IDE activators: Fluorescence polarization-ba... -

Data from ChEMBL 36 via Core Engine