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Compound Detail

CHEMBL4637901

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CS(=O)(=O)CCCn1c(Cn2c(=O)n(C3CC3)c3ccncc32)cc2cc(Br)ccc21

Basic Information

ChEMBL ID CHEMBL4637901
Phase Preclinical
Structure Type MOL
InChI Key VVYSZLOBIPUCAJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
3.73
ALogP
7
HBA
0
HBD
78.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H23BrN4O3S
MW 503.42
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.22

Activity Summary

EC50 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fusion glycoprotein F0
CHEMBL2364165
EC50 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32407115 10.1021/acs.jmedchem.0c00226 Fusion glycoprotein F0 1
32407115 10.1021/acs.jmedchem.0c00226 HeLa 1

Data from ChEMBL 36 via Core Engine