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Compound Detail

CHEMBL3233177

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COC(=O)CN(C)c1ccc(S(=O)(=O)N(C)C)c2nonc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3233177
Phase Preclinical
Structure Type MOL
InChI Key NKLKKHAHSKACAV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

328.4
MW (Da)
0.08
ALogP
8
HBA
0
HBD
105.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4O5S
MW 328.35
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.79

Literature References

PubMed DOI Target Context # Activities
24613377 10.1016/j.bmcl.2014.02.009 ADMET 1
24613377 10.1016/j.bmcl.2014.02.009 HeLa 1

Data from ChEMBL 36 via Core Engine