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Compound Detail

CHEMBL254649

COCHINCHINENIN C
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COc1ccc(C(CCc2ccc(O)cc2OC)c2cc(CCC(=O)c3ccc(O)cc3)c(OC)cc2O)cc1

Basic Information

ChEMBL ID CHEMBL254649
Name COCHINCHINENIN C
Phase Preclinical
Structure Type MOL
InChI Key SLJWKFROLINAGW-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

542.6
MW (Da)
6.41
ALogP
7
HBA
3
HBD
105.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C33H34O7
MW 542.63
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness 0.49

Literature References

PubMed DOI Target Context # Activities
25734332 10.1016/j.ejmech.2015.02.025 Albumin 16
17883259 10.1021/np070260v Helicobacter pylori 1
17883259 10.1021/np070260v Prothrombin 1
17883259 10.1021/np070260v Dipeptidyl peptidase 4 1

Data from ChEMBL 36 via Core Engine