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Compound Detail

CHEMBL478589

GERANYLGERANIOL
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CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO

Basic Information

ChEMBL ID CHEMBL478589
Name GERANYLGERANIOL
Phase Preclinical
Structure Type MOL
InChI Key OJISWRZIEWCUBN-QIRCYJPOSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

290.5
MW (Da)
6.12
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.48
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C20H34O
MW 290.49
Aromatic Rings 0
Heavy Atoms 21
NP-Likeness 1.67

Activity Summary

IC50 2 meas. best 4.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 4.65 4.53 22200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
30016091 10.1021/acs.jmedchem.8b00886 RPMI-8226 4
28254698 10.1016/j.ejmech.2017.02.054 Unchecked 2
1522419 10.1021/np50084a012 Corynebacterium ammoniagenes 1
1522419 10.1021/np50084a012 Bacillus subtilis 1
1522419 10.1021/np50084a012 Staphylococcus aureus 1
1522419 10.1021/np50084a012 Streptococcus mutans 1
1522419 10.1021/np50084a012 Cutibacterium acnes 1
24641242 10.1021/np400872m No relevant target 1
33310291 10.1016/j.ejmech.2020.113062 Unchecked 1

Data from ChEMBL 36 via Core Engine