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Compound Detail

CHEMBL451217

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CC(C)CC(=O)c1c(O)c(Cc2c(O)c(C(=O)CC(C)C)c(O)c(C(=O)CC(C)C)c2O)c(O)c(C(=O)CC(C)C)c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL451217
Phase Preclinical
Structure Type MOL
InChI Key USCPGSPAIHQFQL-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

600.7
MW (Da)
6.43
ALogP
10
HBA
6
HBD
189.7
PSA (Ų)
0.13
QED
3
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H44O10
MW 600.71
Aromatic Rings 2
Heavy Atoms 43
NP-Likeness 0.51

Literature References

PubMed DOI Target Context # Activities
18993064 10.1016/j.bmcl.2008.10.085 Free fatty acid receptor 1 3
20137956 10.1016/j.bmc.2010.01.023 Human immunodeficiency virus 1 2
20137956 10.1016/j.bmc.2010.01.023 CCRF-CEM 2
22342146 10.1016/j.bmcl.2012.01.089 ACHN 1
22342146 10.1016/j.bmcl.2012.01.089 PANC-1 1
22342146 10.1016/j.bmcl.2012.01.089 Calu-1 1
22342146 10.1016/j.bmcl.2012.01.089 NCI-H460 1
22342146 10.1016/j.bmcl.2012.01.089 HCT-116 1

Data from ChEMBL 36 via Core Engine