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Compound Detail

CHEMBL591221

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CC(C)CC(=O)c1c(O)c(C(=O)CC(C)C)c(O)c(C(c2ccco2)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 CHEMBL591221
Phase Preclinical
Structure Type MOL
InChI Key DNLACXYYCCIFPM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

666.8
MW (Da)
7.61
ALogP
11
HBA
6
HBD
202.8
PSA (Ų)
0.09
QED
4
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H46O11
MW 666.76
Aromatic Rings 3
Heavy Atoms 48
NP-Likeness 0.21

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