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Compound Detail

CHEMBL237002

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CCCCN(CCCC)c1c(C(=O)O)cc(S(=O)(=O)Nc2ccccc2)cc1C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL237002
Phase Preclinical
Structure Type MOL
InChI Key PYDHZJJMCKHFQT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

448.5
MW (Da)
4.29
ALogP
5
HBA
3
HBD
124.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N2O6S
MW 448.54
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
17618122 10.1016/j.bmc.2007.06.042 Unchecked 1
17618122 10.1016/j.bmc.2007.06.042 Tubulin 1
17618122 10.1016/j.bmc.2007.06.042 Leishmania donovani 1
17618122 10.1016/j.bmc.2007.06.042 Trypanosoma brucei brucei 1
17618122 10.1016/j.bmc.2007.06.042 Vero 1

Data from ChEMBL 36 via Core Engine