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Compound Detail

CHEMBL2011420

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CN1c2cc3c(cc2OS1(=O)=O)CC[C@@H]1[C@@H]3CC[C@]2(C)C(=O)CC[C@@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2011420
Phase Preclinical
Structure Type MOL
InChI Key BTYGZCXDCRJNEM-QPWUGHHJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.19
ALogP
4
HBA
0
HBD
63.7
PSA (Ų)
0.71
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 C19H23NO4S
MW 361.46
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness 1.33

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