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Compound Detail

CHEMBL4237885

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Brc1cccc(Nc2nc(NCc3ccco3)c3ccccc3n2)c1

Basic Information

ChEMBL ID CHEMBL4237885
Phase Preclinical
Structure Type MOL
InChI Key COFMFANODKSCFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.3
MW (Da)
5.34
ALogP
5
HBA
2
HBD
63.0
PSA (Ų)
0.48
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H15BrN4O
MW 395.26
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.78

Activity Summary

EC50 1 meas. best 5.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Son of sevenless homolog 1
CHEMBL2079846
EC50 5.15 5.15 7100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30258545 10.1021/acsmedchemlett.8b00296 Son of sevenless homolog 1 2

Data from ChEMBL 36 via Core Engine