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Compound Detail

CHEMBL388526

ANTICIN A
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C=C(CC[C@@H](C)[C@H]1CC[C@H]2C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)[C@@H](C)[C@@H]1CC3)[C@H](C)C(=O)O

Basic Information

ChEMBL ID CHEMBL388526
Name ANTICIN A
Phase Preclinical
Structure Type MOL
InChI Key WTSUWKBKPMVEBO-QNMMDLTMSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

454.6
MW (Da)
6.40
ALogP
3
HBA
1
HBD
71.4
PSA (Ų)
0.47
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C29H42O4
MW 454.65
Aromatic Rings 0
Heavy Atoms 33
NP-Likeness 3.03

Activity Summary

IC50 1 meas. best 5.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neutrophil
CHEMBL613710
IC50 5.07 5.07 8550.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neutrophil IC50 = 8550.0 nM 5.07 Inhibition of fMLP-induced superoxide production in human neutrophils 17559265

Literature References

PubMed DOI Target Context # Activities
17559265 10.1021/np070045e Neutrophil 1

Data from ChEMBL 36 via Core Engine