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Compound Detail

CHEMBL601738

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CCC(c1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O)c1c(O)c(C(C)=O)c(O)c(C(C)=O)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL601738
Phase Preclinical
Structure Type MOL
InChI Key FIPKKWGUZOAROR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
3.27
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.33
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H24O10
MW 460.44
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness 0.50

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