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Compound Detail

CHEMBL1253587

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C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(=O)CCC)C[C@@H]1OC(C)(C)O[C@]3(C)C(=O)O[C@@H]2[C@]13OC(=O)CCC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1253587
Phase Preclinical
Structure Type MOL
InChI Key SLNAHPFKHPPWGH-RAFIBHRSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

718.9
MW (Da)
6.51
ALogP
12
HBA
0
HBD
150.0
PSA (Ų)
0.06
QED
3
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H58O12
MW 718.88
Aromatic Rings 0
Heavy Atoms 51
NP-Likeness 1.94

Literature References

PubMed DOI Target Context # Activities
20615710 10.1016/j.bmc.2010.06.032 Sarcoplasmic/endoplasmic reticulum calcium ATPase 1 1

Data from ChEMBL 36 via Core Engine