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Compound Detail

CHEMBL394919

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CCCc1ccc(S(=O)(=O)Nc2c(Br)cc(Br)c3cccnc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL394919
Phase Preclinical
Structure Type MOL
InChI Key RIYOQCTXRZMETE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

484.2
MW (Da)
5.51
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.52
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 C18H16Br2N2O2S
MW 484.21
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.11

Literature References

PubMed DOI Target Context # Activities
17889546 10.1016/j.bmc.2007.09.007 Leishmania amazonensis 1
17889546 10.1016/j.bmc.2007.09.007 Leishmania chagasi 1
17889546 10.1016/j.bmc.2007.09.007 Trypanosoma cruzi 1
17889546 10.1016/j.bmc.2007.09.007 Vero 1

Data from ChEMBL 36 via Core Engine