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Compound Detail

CHEMBL283933

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COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/N=C(/N)S)c(C(=O)O)c1O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL283933
Phase Preclinical
Structure Type MOL
InChI Key MVKAFEFTXONHLO-HBRQFSJYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

563.5
MW (Da)
2.64
ALogP
10
HBA
7
HBD
212.3
PSA (Ų)
0.08
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H21N3O9S
MW 563.54
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness 1.26

Literature References

PubMed DOI Target Context # Activities
11992772 10.1016/s0960-894x(02)00171-3 Steryl-sulfatase 1

Data from ChEMBL 36 via Core Engine