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Compound Detail

CHEMBL4868713

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CNc1cc(-c2ccc3c(ccn3CCN(C)C)c2)nc(S(C)(=O)=O)n1

Basic Information

ChEMBL ID CHEMBL4868713
Phase Preclinical
Structure Type MOL
InChI Key UUZAPZMPENKQKQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

373.5
MW (Da)
2.11
ALogP
7
HBA
1
HBD
80.1
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N5O2S
MW 373.48
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.51

Activity Summary

IC50 1 meas. best 7.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleosome-remodeling factor subunit BPTF
CHEMBL3085621
IC50 7.43 7.43 36.9 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