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Compound Detail

CHEMBL463435

MORACIN I
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COc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1CC=C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL463435
Name MORACIN I
Phase Preclinical
Structure Type MOL
InChI Key MRJQFSZVXAESPR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

324.4
MW (Da)
5.03
ALogP
4
HBA
2
HBD
62.8
PSA (Ų)
0.66
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H20O4
MW 324.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness 1.74

Literature References

PubMed DOI Target Context # Activities
11678652 10.1021/np010288l Aromatase 1
25461329 10.1016/j.ejmech.2014.11.047 Escherichia coli 1
25461329 10.1016/j.ejmech.2014.11.047 Klebsiella pneumoniae 1
25461329 10.1016/j.ejmech.2014.11.047 Pseudomonas aeruginosa 1

Data from ChEMBL 36 via Core Engine