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Compound Detail

CHEMBL4594032

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Oc1c(Br)cc(CSc2nnc(Br)n2Cc2ccc(Br)c3ccccc23)cc1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4594032
Phase Preclinical
Structure Type MOL
InChI Key QYGFFFMDJGEZOZ-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

663.0
MW (Da)
7.53
ALogP
5
HBA
1
HBD
50.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13Br4N3OS
MW 663.03
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.25

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
30579795 10.1016/j.bmcl.2018.12.036 Solute carrier family 22 member 12 1

Data from ChEMBL 36 via Core Engine