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Compound Detail

CHEMBL1760874

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C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)CCCCCC(=O)O)CC[C@]4(C)[C@H]3CC[C@]12C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1760874
Phase Preclinical
Structure Type MOL
InChI Key LVSOFDATYHNDME-XARXUAFMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

518.7
MW (Da)
7.09
ALogP
4
HBA
2
HBD
100.9
PSA (Ų)
0.22
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H50O6
MW 518.74
Aromatic Rings 0
Heavy Atoms 37
NP-Likeness 1.77

Literature References

PubMed DOI Target Context # Activities
23330053 10.1021/ml3001962 Unchecked 2
21388808 10.1016/j.bmcl.2011.02.041 Unchecked 1

Data from ChEMBL 36 via Core Engine