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Compound Detail

CHEMBL237003

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

Basic Information

ChEMBL ID CHEMBL237003
Phase Preclinical
Structure Type MOL
InChI Key VUJNXAHKVWSPQN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

446.6
MW (Da)
3.09
ALogP
5
HBA
3
HBD
135.6
PSA (Ų)
0.46
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 C22H30N4O4S
MW 446.57
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.21

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