Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1096927

LEVOMENOL
🧪 Phase II
Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
🧪 Phase II
CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1096927
Name LEVOMENOL
Phase Phase II
Structure Type MOL
InChI Key RGZSQWQPBWRIAQ-CABCVRRESA-N

Known Names

(-)-.alpha.-bisabolol (.alpha.s,1s)-.alpha.-bisabolol .alpha.-bisabolol .alpha.-bisabolol (-)-form .alpha.-bisabolol, (-)- Alpha-(-)-bisabolol Alpha-bisabolol Bisabola-1,12-dien-8-ol Bisabolol Bisabolol, (-)-.alpha. Bisabolol, .alpha. Bisabolol, alpha +7 more
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
20
Publications
19
Known Names
2
Indications

Molecular Properties

222.4
MW (Da)
4.23
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C15H26O
MW 222.37
Aromatic Rings 0
Heavy Atoms 16
NP-Likeness 2.81

Indications

Onychomycosis Wounds and Injuries

Activity Summary

IC50 3 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Neuronal acetylcholine receptor subunit alpha-7
CHEMBL2492
 IC50 5.51 5.51 3100.0 1
Leukemia cell
CHEMBL614844
 IC50 4.85 4.85 14000.0 1
Signal transducer and activator of transcription 3
CHEMBL4026
 IC50 4.14 4.14 73000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Neuronal acetylcholine receptor subunit alpha-7 IC50 = 3100.0 nM 5.51 Antagonist activity at human alpha7 nACHR expressed in Xenopus laevis oocytes as... 30096653
Leukemia cell IC50 = 14000.0 nM 4.85 Cytotoxicity against ALL/AML patient derived primary leukemia cells after 24 hrs... 30096653
Signal transducer and activator of transcription 3 IC50 = 73000.0 nM 4.14 Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p... 22309250

Literature References

PubMed DOI Target Context # Activities
27616730 10.1021/acs.jnatprod.6b00740 Syrian golden hamster 61
27616730 10.1021/acs.jnatprod.6b00740 NON-PROTEIN TARGET 20
20364847 10.1021/np9003933 HUVEC 17
17894463 10.1021/jf071379c Colletotrichum acutatum 7
17894463 10.1021/jf071379c Colletotrichum gloeosporioides 7
17894463 10.1021/jf071379c Colletotrichum fragariae 7
20413188 10.1016/j.ejmech.2010.03.026 NON-PROTEIN TARGET 6
20413188 10.1016/j.ejmech.2010.03.026 UACC-62 3
20413188 10.1016/j.ejmech.2010.03.026 MCF7 3
20413188 10.1016/j.ejmech.2010.03.026 NCI-H460 3
20413188 10.1016/j.ejmech.2010.03.026 OVCAR-3 3
20413188 10.1016/j.ejmech.2010.03.026 HT-29 3
20413188 10.1016/j.ejmech.2010.03.026 K562 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
17894463 10.1021/jf071379c Botrytis cinerea 2
17894463 10.1021/jf071379c Phomopsis obscurans 1
17894463 10.1021/jf071379c Fusarium oxysporum 1
22309250 10.1021/np2008973 Signal transducer and activator of transcription 3 1
22309250 10.1021/np2008973 Unchecked 1

Data from ChEMBL 36 via Core Engine