ARTENIMOL

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Synonyms
Status
Molecule Category Free-form
ATC P01BE05
UNII 6A9O50735X

Structure

InChI Key BJDCWCLMFKKGEE-CMDXXVQNSA-N
Smiles C[C@H]1[C@@H](O)O[C@@H]2O[C@]3(C)CC[C@H]4[C@H](C)CC[C@@H]1[C@@]24OO3
InChI
InChI=1S/C15H24O5/c1-8-4-5-11-9(2)12(16)17-13-15(11)10(8)6-7-14(3,18-13)19-20-15/h8-13,16H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14+,15-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O5
Molecular Weight 284.35
AlogP 2.19
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Polar Surface Area 57.15
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 20.0

Pharmacology

EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Candida albicans
- 880 - - -
Cryptococcus neoformans
- 280 - - -
Gallus gallus
- - - - 25
Homo sapiens
- 90-850 - - -
Mus musculus
- 0.22 - - -
Plasmodium falciparum
0.9-5.9 0.3-56 - - 50-99.78
Plasmodium falciparum 3D7
- 1.45-3.5 - - -
Plasmodium falciparum 7G8
- 0.6-2.76 - - -
Plasmodium falciparum D10
- 0.7-5.11 - - -
Plasmodium falciparum Dd2
- 8.8 - - -
Plasmodium falciparum HB3
- 0.71-3 - - -
Plasmodium falciparum K1
- 0.49-6 - - -
Plasmodium falciparum NF54
- 0.9 - - -
Plasmodium falciparum VS/1
- 2-2 - - -
Rattus norvegicus
- 730 - - -

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL252518
FDA SRS 6A9O50735X
PubChem 3000518
SureChEMBL SCHEMBL19937859
ZINC ZINC000100036938
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