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Compound Detail

CHEMBL4779972

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O=C(NO)C1CN(S(=O)(=O)c2ccc(Cc3ccccc3)cc2)CCN1S(=O)(=O)c1ccc(Br)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4779972
Phase Preclinical
Structure Type MOL
InChI Key GECQWJIDJVZVGO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

594.5
MW (Da)
2.61
ALogP
6
HBA
2
HBD
124.1
PSA (Ų)
0.32
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 C24H24BrN3O6S2
MW 594.51
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.17

Literature References

PubMed DOI Target Context # Activities
33227414 10.1016/j.bmcl.2020.127683 Falcilysin 1
33227414 10.1016/j.bmcl.2020.127683 Plasmodium falciparum 1

Data from ChEMBL 36 via Core Engine