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Compound Detail

CHEMBL575125

CARANINE
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O[C@@H]1CC=C2CCN3Cc4cc5c(cc4[C@H]1[C@@H]23)OCO5
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL575125
Name CARANINE
Phase Preclinical
Structure Type MOL
InChI Key XKYSLILSDJBMCU-DAXOMENPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

271.3
MW (Da)
1.78
ALogP
4
HBA
1
HBD
41.9
PSA (Ų)
0.73
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 C16H17NO3
MW 271.32
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness 2.32

Literature References

PubMed DOI Target Context # Activities
19788245 10.1021/jm901031h NON-PROTEIN TARGET 3
20550100 10.1021/np9008255 NON-PROTEIN TARGET 3
19788245 10.1021/jm901031h A549 1
19788245 10.1021/jm901031h SK-MEL-28 1
19788245 10.1021/jm901031h B16-F10 1
20550100 10.1021/np9008255 A549 1
20550100 10.1021/np9008255 SK-MEL 1
20550100 10.1021/np9008255 B16-F10 1
29033234 10.1016/j.bmcl.2017.09.052 Escherichia coli 1

Data from ChEMBL 36 via Core Engine