FLURANDRENOLIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1965)
Entry Type: Small molecule
Molecule Category: Parent
UNII: 8EUL29XUQT

Structure
InChI Key POPFMWWJOGLOIF-XWCQMRHXSA-N
Smile CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
InChI
InChI=1S/C24H33FO6/c1-21(2)30-19-9-14-13-8-16(25)15-7-12(27)5-6-22(15,3)20(13)17(28)10-23(14,4)24(19,31-21)18(29)11-26/h7,13-14,16-17,19-20,26,28H,5-6,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H33FO6
Molecular Weight 436.52
AlogP 2.5
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 93.06
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 31.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 6.625
Enzyme Transferase
- - - - 7.42
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 1
- 4.447 - 2.021 -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 3 Nuclear hormone receptor subfamily 3 group C Nuclear hormone receptor subfamily 3 group C member 3
- 172 - 22 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 129.23
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 71190 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Kidney Failure, Chronic 3 D007676 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
48.15
Nervous system disorders
15.56
General disorders and administration site conditions
9.63
Product issues
5.93
Injury, poisoning and procedural complications
5.19
Infections and infestations
4.44
Immune system disorders
2.22
Musculoskeletal and connective tissue disorders
2.22
Respiratory, thoracic and mediastinal disorders
2.22

Cross References

Resources Reference
CAS NUMBER 1524-88-5
ChEBI 5127
ChEMBL CHEMBL1201012
DrugBank DB00846
DrugCentral 1217
EPA CompTox DTXSID2047434
FDA SRS 8EUL29XUQT
Human Metabolome Database HMDB14984
Guide to Pharmacology 7606
PharmGKB PA164750513
PubChem 15209
SureChEMBL SCHEMBL4694
ZINC ZINC000004097308
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