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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1201388
CHEMBL1201388
Compound Name FLUDROCORTISONE
ChEMBL Synonyms Fludrocortisone
Max Phase 0
Trade Names
Molecular Formula C21H29FO5

Additional synonyms for CHEMBL1201388 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1 ...
Download SMILES
Standard InChI InChI=1S/C21H29FO5/c1-18-7-5-13(24)9-12(18)3-4-15-14-6-8-20( ...
Download InChI
Standard InChI Key AAXVEMMRQDVLJB-BULBTXNYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1201388

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
380.5 380.1999 1.87 2 94.83 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 3 0 5 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
12.12 - 2.1 2.1 0 27 0.68

Structural Alerts

There are 3 structural alerts for CHEMBL1201388. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:AAXVEMMRQDVLJB-BULBTXNYSA-N
PubChem SID: 144206253 SID: 144206895 SID: 170464959 SID: 50125791
Wikipedia Fludrocortisone

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1201388



ACToR 127-31-1
Atlas fludrocortisone
Brenda 20090
ChEBI 50885
DrugBank DB00687
eMolecules 31226069
EPA CompTox Dashboard DTXSID7023061
FDA SRS U0476M545B
Guide to Pharmacology 2873
Human Metabolome Database HMDB0014825
IBM Patent System E6A18C84FB19B85FBAC191EDB0C59750
KEGG Ligand C07004
LipidMaps LMST02030103
MolPort MolPort-005-943-437
Nikkaji J10.052H
PDBe ZK5
PharmGKB PA164743961
PubChem 31378
PubChem: Thomson Pharma 15375738
SureChEMBL SCHEMBL4545
ZINC ZINC000004097304

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/AAXVEMMRQDVLJB-BULBTXNYSA-N spacer
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