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Compound Detail

CHEMBL240130

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CCCc1ccc(S(=O)(=O)Nc2cc(OC)cc3ccc(C)nc23)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL240130
Phase Preclinical
Structure Type MOL
InChI Key XRASCEHGNXXMRO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

370.5
MW (Da)
4.31
ALogP
4
HBA
1
HBD
68.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H22N2O3S
MW 370.47
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.27

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