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Compound Detail

CHEMBL243330

CRYPTOJAPONOL
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COc1c(C(C)C)cc2c(c1O)[C@@]1(C)CCCC(C)(C)[C@@H]1CC2=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL243330
Name CRYPTOJAPONOL
Phase Preclinical
Structure Type MOL
InChI Key CZEPBGSMIRTHKN-KKSFZXQISA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

330.5
MW (Da)
5.19
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.81
QED
1
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 C21H30O3
MW 330.47
Aromatic Rings 1
Heavy Atoms 24
NP-Likeness 2.43

Literature References

PubMed DOI Target Context # Activities
17663539 10.1021/jm070295s SARS-CoV 5
17663539 10.1021/jm070295s Vero 1
17663539 10.1021/jm070295s Unchecked 1
21775156 10.1016/j.bmc.2011.06.067 MIA PaCa-2 1
21775156 10.1016/j.bmc.2011.06.067 NON-PROTEIN TARGET 1
33978415 10.1021/acs.jnatprod.0c01180 MCF7 1
33978415 10.1021/acs.jnatprod.0c01180 A549 1
33978415 10.1021/acs.jnatprod.0c01180 SMMC-7721 1
33978415 10.1021/acs.jnatprod.0c01180 SW480 1
33978415 10.1021/acs.jnatprod.0c01180 HL-60 1
33978415 10.1021/acs.jnatprod.0c01180 BEAS-2B 1

Data from ChEMBL 36 via Core Engine