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Compound Detail

CHEMBL2011413

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CCCc1cc2c(c(CCC)c1OS(N)(=O)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011413
Phase Preclinical
Structure Type MOL
InChI Key XIHGCJPNNVYOMT-QNJCZANYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

433.6
MW (Da)
4.60
ALogP
4
HBA
1
HBD
86.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H35NO4S
MW 433.61
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 1.17

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