HYDROCORTISONE HEMISUCCINATE

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Synonyms
Status
Molecule Category Free-form
UNII LIU00Z1Z84
EPA CompTox DTXSID80894227
Parent Compound: HYDROCORTISONE

Structure

InChI Key VWQWXZAWFPZJDA-CGVGKPPMSA-N
Smiles C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)O
InChI
InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36O9
Molecular Weight 480.55
AlogP 2.2
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 138.2
Molecular species ACID
Aromatic Rings 0.0
Heavy Atoms 33.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
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
- - 190 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 93.98-101.77
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 93.98-101.77
Mus musculus
- - 190 - -

Cross References

Resources Reference
CAS NUMBER 83784-20-7
ChEBI 31677
ChEMBL CHEMBL977
DrugBank DB14545
DrugCentral 4456
FDA SRS LIU00Z1Z84
PubChem 219121
SureChEMBL SCHEMBL7664
ZINC ZINC000004097472
CAS NUMBER 83784-20-7
ChEMBL CHEMBL3989663
FDA SRS LIU00Z1Z84
PubChem 219121
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