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Compound Detail

CHEMBL1915708

PALMEROLIDE D
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C=C(C)C/C(C)=C\C(=O)N/C=C/C(C)=C/[C@@H](C)[C@H]1C/C(C)=C/C=C/CC[C@H](OC(N)=O)[C@@H](O)/C=C/[C@@H](O)CCC/C=C/C(=O)O1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1915708
Name PALMEROLIDE D
Phase Preclinical
Structure Type MOL
InChI Key FCKRUGBQFSKMHB-GXWFBVLJSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

624.8
MW (Da)
6.18
ALogP
7
HBA
4
HBD
148.2
PSA (Ų)
0.11
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C36H52N2O7
MW 624.82
Aromatic Rings 0
Heavy Atoms 45
NP-Likeness 2.46

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
UACC-62
CHEMBL614610
 IC50 8.7 8.7 2.0 1
Unchecked
CHEMBL612545
 IC50 7.6 7.6 25.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
UACC-62 IC50 = 2.0 nM 8.7 Cytotoxicity against human UACC62 cells after 48 hrs by SRB assay 21737286
Unchecked IC50 = 25.0 nM 7.6 Inhibition of bovine brain Vo domain of V-ATPase activity assessed as ATP-mediat... 21737286

Literature References

PubMed DOI Target Context # Activities
21737286 10.1016/j.bmc.2011.06.004 Unchecked 2
21737286 10.1016/j.bmc.2011.06.004 UACC-62 1

Data from ChEMBL 36 via Core Engine