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Compound Detail

CHEMBL551764

LESPECYRTIN F1
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CC(C)=CCc1c(O)c(O)cc2c3c(oc12)-c1ccc(O)cc1OC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL551764
Name LESPECYRTIN F1
Phase Preclinical
Structure Type MOL
InChI Key FRLCRXOQCLBSAQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
4.62
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.47
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 C20H18O5
MW 338.36
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 2.14

Literature References

PubMed DOI Target Context # Activities
19102656 10.1021/np800535g Unchecked 1
19102656 10.1021/np800535g ADMET 1

Data from ChEMBL 36 via Core Engine