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Compound Detail

CHEMBL4851594

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CNc1cc(-c2ccc3c(ccn3CCCN(C)C)c2)nc([S+](C)[O-])n1

Basic Information

ChEMBL ID CHEMBL4851594
Phase Preclinical
Structure Type MOL
InChI Key YERWTCHPEGGEOL-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.5
MW (Da)
2.83
ALogP
6
HBA
1
HBD
69.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H25N5OS
MW 371.51
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.25

Activity Summary

IC50 1 meas. best 7.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleosome-remodeling factor subunit BPTF
CHEMBL3085621
IC50 7.23 7.23 59.3 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34375106 10.1021/acs.jmedchem.1c00721 Nucleosome-remodeling factor subunit BPTF 1

Data from ChEMBL 36 via Core Engine