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Compound Detail

CHEMBL538357

CALIFORNIDINE
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C[N+]1(C)[C@H]2Cc3cc4c(cc3[C@@H]1Cc1cc3c(cc12)COC3)OCO4.[Cl-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL538357
Name CALIFORNIDINE
Phase Preclinical
Structure Type MOL
InChI Key GLCGPUDWOPXBAY-HLRBRJAUSA-M
Parent Compound CHEMBL481838
Active Moiety CHEMBL481838
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

336.4
MW (Da)
3.42
ALogP
3
HBA
0
HBD
27.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H22ClNO3
MW 371.86
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 1.08

Literature References

PubMed DOI Target Context # Activities
16562853 10.1021/np058114h 5-hydroxytryptamine receptor 1A 2
16562853 10.1021/np058114h Cytochrome P450 3A4 1

Data from ChEMBL 36 via Core Engine