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Compound Detail

CHEMBL1081699

16-O-METHYLSESTERSTATIN 4
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CO[C@@H]1C[C@H]2[C@]3(C)CC[C@H]4C(C)(C)CCC[C@]4(C)[C@H]3C[C@@H](O)[C@]2(C)c2cocc21

Basic Information

ChEMBL ID CHEMBL1081699
Name 16-O-METHYLSESTERSTATIN 4
Phase Preclinical
Structure Type MOL
InChI Key QMHFSZLROLPKPK-UHLZIHARSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
6
Publications
0
Known Names

Molecular Properties

400.6
MW (Da)
6.26
ALogP
3
HBA
1
HBD
42.6
PSA (Ų)
0.60
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H40O3
MW 400.60
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 3.02

Literature References

PubMed DOI Target Context # Activities
19658408 10.1021/np900326a SK-OV-3 1
19658408 10.1021/np900326a SK-MEL 1
19658408 10.1021/np900326a BT-549 1
19658408 10.1021/np900326a Vero 1
19658408 10.1021/np900326a Staphylococcus aureus 1
19658408 10.1021/np900326a Mycobacterium intracellulare 1

Data from ChEMBL 36 via Core Engine