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Compound Detail

CHEMBL2442169

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

Basic Information

ChEMBL ID CHEMBL2442169
Phase Preclinical
Structure Type MOL
InChI Key APYVEUGLZHAHDJ-BOKMIASKSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

404.7
MW (Da)
6.44
ALogP
2
HBA
2
HBD
40.5
PSA (Ų)
0.55
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C27H48O2
MW 404.68
Aromatic Rings 0
Heavy Atoms 29
NP-Likeness 2.32

Literature References

PubMed DOI Target Context # Activities
24084159 10.1016/j.bmcl.2013.09.013 Vero 1
24084159 10.1016/j.bmcl.2013.09.013 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine