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Compound Detail

CHEMBL388140

ISOLONGIFOLOL
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CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]([C@@H]31)[C@@H]2CO

Basic Information

ChEMBL ID CHEMBL388140
Name ISOLONGIFOLOL
Phase Preclinical
Structure Type MOL
InChI Key VZJHQHUOVIDRCF-BIGJJFBESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

222.4
MW (Da)
3.47
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.72
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 C15H26O
MW 222.37
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 2.74

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
UDP-glucuronosyltransferase 2B7
CHEMBL4370
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
17474732 10.1021/jm061204e UDP-glucuronosyltransferase 2B7 5

Data from ChEMBL 36 via Core Engine