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Compound Detail

CHEMBL393749

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CC(C)c1cc(C(C)C)c(S(=O)(=O)Nc2cccc3cccnc23)c(C(C)C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL393749
Phase Preclinical
Structure Type MOL
InChI Key FTVVWDGOAFUJEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

410.6
MW (Da)
6.41
ALogP
3
HBA
1
HBD
59.1
PSA (Ų)
0.51
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H30N2O2S
MW 410.58
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.04

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