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Compound Detail

CHEMBL578493

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CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(CCc2ccccc2)c2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL578493
Phase Preclinical
Structure Type MOL
InChI Key OGNDBHNURWRSKY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

704.9
MW (Da)
8.60
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.07
QED
3
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C41H52O10
MW 704.86
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness 0.47

Literature References

PubMed DOI Target Context # Activities
20137956 10.1016/j.bmc.2010.01.023 Human immunodeficiency virus 1 2
20137956 10.1016/j.bmc.2010.01.023 CCRF-CEM 2

Data from ChEMBL 36 via Core Engine