Structure

InChI Key FMGSKLZLMKYGDP-USOAJAOKSA-N
Smiles C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12
InChI
InChI=1S/C19H28O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-16,20H,4-11H2,1-2H3/t13-,14-,15-,16-,18-,19-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H28O2
Molecular Weight 288.43
AlogP 3.88
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 37.3
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 21.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 5.7-12.1
Secreted protein
- - 14.45 - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - 14.45 - 5.7-12.1
Mus musculus
- 141 - - 40-55.3
Rattus norvegicus
- 0.29-1.65 - - -

Related Entries

Cross References

Resources Reference
ChEBI 28689
ChEMBL CHEMBL90593
DrugBank DB01708
DrugCentral 795
FDA SRS 459AG36T1B
Human Metabolome Database HMDB0000077
Guide to Pharmacology 2370
KEGG C01227
PDB AND
PharmGKB PA451993
PubChem 5881
SureChEMBL SCHEMBL24156
ZINC ZINC000003807917