General Information of the Compound
Compound ID
CP0069846
Compound Name
CLOBETASOL PROPIONATE
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Synonyms
21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate
25122-46-7
C25H32ClFO5
CCI 4725
CGP 9555
CLOBETASOL PROPIONATE
Clobesol
Clobestasol propionate
Clobetasol 17-propionate
Clobetasol propionate
Clobetasol propionate [USAN:JAN]
Clobex
Cormax
Dermovate
EINECS 246-634-3
Embeline
Embeline E
GR 2/925
Impoyz
MLS000028708
Olux
Olux-E
Temovate
Temovate E
UNII-779619577M
[(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12
clobetasol 17-propanoate
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Structure
Formula
C25H32ClFO5
Molecular Weight
466.977
Canonical SMILES
CCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CCl
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InChI
InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1
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InChIKey
CBGUOGMQLZIXBE-XGQKBEPLSA-N
CAS
25122-46-7
Physicochemical Property
logP
4.1031
Rotatable Bonds
4
Heavy Atom Count
32
Polar Areas
80.67
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
32

"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: 32798
SID: 14858433
ChEMBL ID
CHEMBL1159650
DrugBank ID
DB01013
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: PT00967, Glucocorticoid receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000162 HeLa S3 Homo sapiens (Human)  2
1
IC50 = 1.456 nM
   TI
   LI
   LO
   TS
2
Ki = 0.662 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Impoyz )
Drug Name Impoyz
Company Promius Pharma Princeton, NJ
Indication
Plaque psoriasis
Phase 2