CLOBETASOL PROPIONATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1985)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 779619577M
Parent Compound: CLOBETASOL

Structure
InChI Key CBGUOGMQLZIXBE-XGQKBEPLSA-N
Smile CCC(=O)O[C@]1(C(=O)CCl)[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@@]21C
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

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H32ClFO5
Molecular Weight 466.98
AlogP 4.1
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 80.67
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
AGONIST Glucocorticoid receptor agonist PubMed
Primary Target
Glucocorticoid receptor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A4
- 206 - - -
Enzyme Cytochrome P450 Cytochrome P450 family 3 Cytochrome P450 family 3A Cytochrome P450 3A5
- 21-15600 100 - 90
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
- 3 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 20
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 8500-8500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Pemphigoid, Bullous 3 D010391 ClinicalTrials
Alopecia Areata 3 D000506 ClinicalTrials
Graft vs Host Disease 3 D006086 ClinicalTrials
Vulvar Lichen Sclerosus 3 D007724 ClinicalTrials
Arthritis, Rheumatoid 3 D001172 ClinicalTrials
Cataract 3 D002386 ClinicalTrials
Dermatitis, Seborrheic 3 D012628 ClinicalTrials
Herpes Labialis 2 D006560 ClinicalTrials
Lichen Planus 2 D008010 ClinicalTrials
Lichen Sclerosus et Atrophicus 2 D018459 ClinicalTrials
Lichen Planus, Oral 2 D017676 ClinicalTrials
Rectal Neoplasms 2 D012004 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Phlebitis 1 D010689 ClinicalTrials
Stevens-Johnson Syndrome 1 D013262 ClinicalTrials
Scleroderma, Localized 1 D012594 ClinicalTrials
Dermatitis, Atopic 1 D003876 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Skin and subcutaneous tissue disorders
20.3
General disorders and administration site conditions
15.71
Injury, poisoning and procedural complications
14.85
Nervous system disorders
5.76
Infections and infestations
4.57
Psychiatric disorders
4.36
Vascular disorders
4.26
Metabolism and nutrition disorders
4.22
Endocrine disorders
3.52
Immune system disorders
2.85
Neoplasms benign, malignant and unspecified (incl cysts and polyps)
2.6
Musculoskeletal and connective tissue disorders
2.52
Product issues
2.44
Eye disorders
2.13
Gastrointestinal disorders
2.13

Cross References

Resources Reference
CAS NUMBER 25122-46-7
ChEBI 31414
ChEMBL CHEMBL1159650
DrugBank DB01013
DrugCentral 4452
EPA CompTox DTXSID6045907
FDA SRS 779619577M
Guide to Pharmacology 7062
PharmGKB PA164744375
PubChem 32798
SureChEMBL SCHEMBL3997
ZINC ZINC000003977767
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