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Compound Detail

CHEMBL369584

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O=C(O)C1C(C(=O)OCc2ccccc2)[C@H]2CC[C@@H]1O2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL369584
Phase Preclinical
Structure Type MOL
InChI Key FPOUQQHQTRACGO-ZFDZMSFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

276.3
MW (Da)
1.61
ALogP
4
HBA
1
HBD
72.8
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H16O5
MW 276.29
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 0.16

Literature References

PubMed DOI Target Context # Activities
15050639 10.1016/j.bmcl.2004.01.093 Protein phosphatase 1B 1
15050639 10.1016/j.bmcl.2004.01.093 Unchecked 1
15050639 10.1016/j.bmcl.2004.01.093 A2780 1
15050639 10.1016/j.bmcl.2004.01.093 G-401 1
15050639 10.1016/j.bmcl.2004.01.093 HT-29 1
15050639 10.1016/j.bmcl.2004.01.093 NCI-H460 1
15050639 10.1016/j.bmcl.2004.01.093 L1210 1

Data from ChEMBL 36 via Core Engine