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Compound Detail

CHEMBL25308

FARNESOL
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CC(C)=CCC/C(C)=C/CC/C(C)=C/CO
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL25308
Name FARNESOL
Phase Preclinical
Structure Type MOL
InChI Key CRDAMVZIKSXKFV-YFVJMOTDSA-N
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

222.4
MW (Da)
4.40
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.63
QED
0
Ro5 Violations
7
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 2.19

Activity Summary

IC50 5 meas. best 6.0
Kd 1 meas. best 5.98

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Candida albicans
CHEMBL366
 IC50 6.0 6.0 1000.0 1
Unchecked
CHEMBL612545
 Kd 5.98 5.98 1040.0 1
UDP-glucuronosyltransferase 1A1
CHEMBL1287617
 IC50 4.4 4.365 40000.0 2
Neuraminidase
CHEMBL2051
 IC50 4.09 4.09 81400.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Candida albicans IC50 = 1000.0 nM 6.0 Effect on quorum sensing in Candida albicans assessed as inhibition of germ tube... 18037299
Unchecked Kd = 1040.0 nM 5.98 Binding affinity to Mycobacterium tuberculosis CYP124A1 by UV-visible spectropho... 34289431
UDP-glucuronosyltransferase 1A1 IC50 = 40000.0 nM 4.4 Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as red... 21030469
UDP-glucuronosyltransferase 1A1 IC50 = 47000.0 nM 4.33 Inhibition of human recombinant UGT1A1 expressed in HEK293 cells assessed as red... 21030469
Neuraminidase IC50 = 81400.0 nM 4.09 Inhibition of Influenza Virus A/PR/8/34 neuraminidase chemiluminescence-based en... 20014777

Literature References

PubMed DOI Target Context # Activities
17684006 10.1128/aac.01438-06 Candida parapsilosis 623
19364863 10.1128/aac.01551-08 Candida albicans 65
29402738 10.1016/j.bmcl.2018.01.028 Staphylococcus aureus 26
19933803 10.1128/aac.01214-09 Candida albicans 21
34118413 10.1016/j.bmcl.2021.128192 Staphylococcus aureus 17
34118413 10.1016/j.bmcl.2021.128192 Staphylococcus epidermidis 11
34118413 10.1016/j.bmcl.2021.128192 Enterococcus faecalis 9
34118413 10.1016/j.bmcl.2021.128192 Escherichia coli 9
34118413 10.1016/j.bmcl.2021.128192 Streptococcus agalactiae 6
34118413 10.1016/j.bmcl.2021.128192 Streptococcus mutans 6
34118413 10.1016/j.bmcl.2021.128192 Streptococcus sobrinus 6
34118413 10.1016/j.bmcl.2021.128192 Streptococcus pyogenes 6
34118413 10.1016/j.bmcl.2021.128192 Enterococcus durans 5
19704121 10.1128/aac.00387-09 Streptococcus mutans 4
21030469 10.1124/dmd.110.035030 UDP-glucuronosyltransferase 1A1 2
22400916 10.1021/np2009994 Candida albicans 2
34118413 10.1016/j.bmcl.2021.128192 Klebsiella pneumoniae 2
18037299 10.1016/j.bmc.2007.11.011 Candida albicans 2
11958988 10.1016/s0960-894x(02)00038-0 Candida albicans 2
33310291 10.1016/j.ejmech.2020.113062 Unchecked 1

Data from ChEMBL 36 via Core Engine