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Compound Detail

CHEMBL501991

PERLOLYRIN
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OCc1ccc(-c2nccc3c2[nH]c2ccccc23)o1

Basic Information

ChEMBL ID CHEMBL501991
Name PERLOLYRIN
Phase Preclinical
Structure Type MOL
InChI Key KFUCYPGCMLPUMT-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names

Molecular Properties

264.3
MW (Da)
3.47
ALogP
3
HBA
2
HBD
62.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C16H12N2O2
MW 264.28
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness 0.29

Activity Summary

IC50 3 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAW264.7
CHEMBL612557
IC50 5.06 5.06 8700.0 1
cGMP-specific 3',5'-cyclic phosphodiesterase
CHEMBL1827
IC50 5.03 5.03 9300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21848266 10.1021/np100902f NON-PROTEIN TARGET 5
18715034 10.1021/np800248s Staphylococcus aureus 1
18715034 10.1021/np800248s Bacillus subtilis 1
18715034 10.1021/np800248s Streptomyces viridochromogenes 1
18715034 10.1021/np800248s Escherichia coli 1
18715034 10.1021/np800248s Candida albicans 1
18715034 10.1021/np800248s Rhizomucor miehei 1
18715034 10.1021/np800248s Chlorella vulgaris 1
18715034 10.1021/np800248s Chlorella sorokiniana 1
18715034 10.1021/np800248s Desmodesmus subspicatus 1
28499733 10.1016/j.bmcl.2017.04.072 RAW264.7 1
29505934 10.1016/j.ejmech.2018.02.039 cGMP-specific 3',5'-cyclic phosphodiesterase 1
30245400 10.1016/j.ejmech.2018.09.028 cGMP-specific 3',5'-cyclic phosphodiesterase 1

Data from ChEMBL 36 via Core Engine