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Compound Detail

CHEMBL389270

ISOLAURELINE
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COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL389270
Name ISOLAURELINE
Phase Preclinical
Structure Type MOL
InChI Key GXFOBPWUVXXUIF-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

309.4
MW (Da)
3.18
ALogP
4
HBA
0
HBD
30.9
PSA (Ų)
0.81
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 C19H19NO3
MW 309.37
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness 1.40

Literature References

PubMed DOI Target Context # Activities
17081761 10.1016/j.bmc.2006.10.034 ADMET 1
17081761 10.1016/j.bmc.2006.10.034 T-cell 1
17081761 10.1016/j.bmc.2006.10.034 B-cell 1

Data from ChEMBL 36 via Core Engine