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Compound Detail

CHEMBL4853420

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Cn1ncc(NC2CNC2)c(Cl)c1=O

Basic Information

ChEMBL ID CHEMBL4853420
Phase Preclinical
Structure Type MOL
InChI Key GZHCENKGUMJQPY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.7
MW (Da)
-0.18
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.72
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H11ClN4O
MW 214.66
Aromatic Rings 1
Heavy Atoms 14
NP-Likeness -1.57

Activity Summary

IC50 1 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nucleosome-remodeling factor subunit BPTF
CHEMBL3085621
IC50 5.06 5.06 8700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34515477 10.1021/acs.jmedchem.1c01294 Nucleosome-remodeling factor subunit BPTF 1

Data from ChEMBL 36 via Core Engine