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Compound Detail

CHEMBL134236

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C[C@@H]1C(=O)c2c(O)c(/C(=C\C(=O)O)c3ccccc3)c3c(c2O[C@@H]1C)C=CC(C)(C)O3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL134236
Phase Preclinical
Structure Type MOL
InChI Key SSJOJPHKKKSPGS-ALRNZDJHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.5
MW (Da)
4.69
ALogP
5
HBA
2
HBD
93.1
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C25H24O6
MW 420.46
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness 2.08

Literature References

PubMed DOI Target Context # Activities
7506311 10.1021/jm00078a001 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine