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Compound Detail

CHEMBL480663

CARYACHINE
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COc1cc2c(cc1O)[C@@H]1Cc3cc4c(cc3[C@H](C2)N1C)OCO4

Basic Information

ChEMBL ID CHEMBL480663
Name CARYACHINE
Phase Preclinical
Structure Type MOL
InChI Key TZJNFQHUSMXCIT-GJZGRUSLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

325.4
MW (Da)
2.96
ALogP
5
HBA
1
HBD
51.2
PSA (Ų)
0.87
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 C19H19NO4
MW 325.36
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness 1.20

Activity Summary

EC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
5-hydroxytryptamine receptor 1A
CHEMBL214
EC50 5.05 5.05 9000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine