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Compound Detail

CHEMBL2011419

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C[C@]12CC[C@@H]3c4cc5c(cc4CC[C@H]3[C@@H]1CCC2=O)OS(=O)(=O)N5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011419
Phase Preclinical
Structure Type MOL
InChI Key QJHGMHTVCYVQCE-JPVZDGGYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.16
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H21NO4S
MW 347.44
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 1.43

Literature References

PubMed DOI Target Context # Activities
22455789 10.1016/j.bmc.2012.03.007 Steryl-sulfatase 2

Data from ChEMBL 36 via Core Engine