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Compound Detail

CHEMBL4452211

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Brc1cccc(Sc2nc(-c3ccccc3)nc3ccccc23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4452211
Phase Preclinical
Structure Type MOL
InChI Key BIYVYOOVCUWUAG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

393.3
MW (Da)
6.21
ALogP
3
HBA
0
HBD
25.8
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H13BrN2S
MW 393.31
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -1.43

Literature References

PubMed DOI Target Context # Activities
30390439 10.1016/j.ejmech.2018.10.026 Broad substrate specificity ATP-binding cassette transporter ABCG2 1
30390439 10.1016/j.ejmech.2018.10.026 No relevant target 1

Data from ChEMBL 36 via Core Engine