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Compound Detail

CHEMBL1159421

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CC(C)(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)[C@@H]1Cc2cc3ccc(=O)oc3cc2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1159421
Phase Preclinical
Structure Type MOL
InChI Key BPGKEPWWWHYAHB-HUFJVISLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
0.10
ALogP
8
HBA
4
HBD
129.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H26O8
MW 406.43
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness 1.58

Literature References

PubMed DOI Target Context # Activities
9873511 10.1016/s0960-894x(98)00391-6 Rattus norvegicus 2
9873511 10.1016/s0960-894x(98)00391-6 Mus musculus 2

Data from ChEMBL 36 via Core Engine