General Information of the Compound
Compound ID
CP0084475
Compound Name
Aerobid
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Synonyms
6 alpha-fluoro-11 beta,16 alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16, 17-acetal with acetone
6 alpha-fluorodihydroxy-16 alpha,17 alpha-isopropylidenedioxy-1,4-pregnadiene-3,20-dione
6-Fluoro-11,21-dihydroxy-16,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
6alpha-Fluoro-11beta,16alpha,17,21-tetrahydroxypregna-1,4-diene-3,20-dione cyclic 16, 17-acetal with acetone
6alpha-fluoro-11beta,21-dihydroxy-16alpha,17alpha-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
AeroBid (TN)
AeroBid, Nasalide, Nasarel,Flunisolide
Aerobid
Aerobid M
Aerospan
Aerospan HFA
Bronalide
F0437
Flunisolida
Flunisolida [INN-Spanish]
Flunisolide
Flunisolide (anhydrous)
Flunisolide HFA
Flunisolide [INN]
Flunisolide [anhydrous]
Flunisolide anhydrous
Flunisolidum
Flunisolidum [INN-Latin]
Lunis
Nasalide
Nasalide (TN)
Nasarel
Nasarel (TN)
Nisolid
Pregna-1,4-diene-3,20-dione, 6-alpha-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone
Pregna-1,4-diene-3,20-dione, 6-alpha-fluoro-11-beta,16-alpha,17,21-tetrahydroxy-,cyclic 16,17-acetal with acetone
RS 3999
RS-3999
Rhinalar
Rhinolar
Soluzione
Synaclyn
Syntaris
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Structure
Formula
C24H31FO6
Molecular Weight
434.504
Canonical SMILES
CC1(C)O[C@@H]2C[C@H]3[C@@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@H]4[C@@H](O)C[C@]3(C)[C@@]2(O1)C(=O)CO
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InChI
InChI=1S/C24H31FO6/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/h5-7,13-14,16-17,19-20,26,28H,8-11H2,1-4H3/t13-,14-,16-,17-,19+,20+,22-,23-,24+/m0/s1
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InChIKey
XSFJVAJPIHIPKU-XWCQMRHXSA-N
CAS
3385-03-3
Physicochemical Property
logP
2.2747
Rotatable Bonds
2
Heavy Atom Count
31
Polar Areas
93.06
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Complexity
31

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 82153
SID: 14807742
ChEMBL ID
CHEMBL1512
DrugBank ID
DB00180
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 1584.9 nM
   TI
   LI
   LO
   TS
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  2
1
IC50 = 5.33 nM
   TI
   LI
   LO
   TS
2
Ki = 2.423 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Flunisolide )
Drug Name Flunisolide
Indication
Allergic rhinitis
Approved
Target(s)
Glucocorticoid receptor (NR3C1)
Agonist