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Compound Detail

CHEMBL458573

PENICITRINOL B
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CO[C@@]12O[C@H](C)[C@@H](C)C1=C(C)C(=O)C1=C2Oc2cc(O)c(C)c3c2[C@H]1O[C@H](C)[C@H]3C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458573
Name PENICITRINOL B
Phase Preclinical
Structure Type MOL
InChI Key YWUROUQKOJZPEJ-ZPLCETTNSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names

Molecular Properties

412.5
MW (Da)
4.21
ALogP
6
HBA
1
HBD
74.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H28O6
MW 412.48
Aromatic Rings 1
Heavy Atoms 30
NP-Likeness 2.39

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
18281952 10.1021/np0704708 P388 1
18281952 10.1021/np0704708 HL-60 1
18281952 10.1021/np0704708 Bel-7402 1
18281952 10.1021/np0704708 A549 1
18281952 10.1021/np0704708 Radical scavenging activity 1
21761866 10.1021/jm200511x HL-60 1
21761866 10.1021/jm200511x HCT-116 1
21761866 10.1021/jm200511x KB 1

Data from ChEMBL 36 via Core Engine