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Compound Detail

CHEMBL1207919

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C[C@@]12CCC(=O)c3coc(c31)C(=O)c1cc3c(O)ccc(OS(=O)(=O)O)c3cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1207919
Phase Preclinical
Structure Type MOL
InChI Key OIBVHMHPAKLZEG-FQEVSTJZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.15
ALogP
7
HBA
2
HBD
131.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H14O8S
MW 414.39
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 2.06

Data from ChEMBL 36 via Core Engine