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Compound Detail

CHEMBL26360

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COc1c2c(c(O)c3c1C(=O)c1c(cc(O)c(C)c1O)C3=O)-c1c(cc(/C=N/NC(=O)Nc3ccccc3)c(C(=O)O)c1O)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL26360
Phase Preclinical
Structure Type MOL
InChI Key XXPDIMHWYAFAPJ-PONZDJLKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

623.6
MW (Da)
4.22
ALogP
10
HBA
7
HBD
215.1
PSA (Ų)
0.11
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H25N3O10
MW 623.57
Aromatic Rings 4
Heavy Atoms 46
NP-Likeness 0.70

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