UCSF

ZINC03977767

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 28th, 2005 32 No

Popular Name: Clobetasol propionate Clobetasol propionate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 25122-46-7 , 25122-46-7, 25122-41-2 [c , 25122-46-7, 25122-41-2 [clobetasol]

Other Names:

Dermovate

(11beta,16beta)-21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

(8S,9R,10S,11S,13S,14S,16S,17R)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

(8xi,11beta,14xi,16beta)-21-chloro-9-fluoro-11-hydroxy-16-methyl-3,20-dioxopregna-1,4-dien-17-yl propanoate

(9R,17R)-17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

17-(2-chloroacetyl)-9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-3-one

21-chloro-9-fluoro-11,17-dihydroxy-16-methylpregna-1,4-diene-3,20-dione

21-Chloro-9-fluoro-11-hydroxy-16-methyl-17-(1-oxopropoxy)pregna-1,4-diene-3,20-dione (11beta,16beta)-; 21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; 21-Chloro-9-fluoro-11beta-hydroxy-16beta-methylpregna-1,4

21-Chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione

21-chloro-9-fluoro-11beta,17-dihydroxy-16beta-methylpregna-1,4-diene-3,20-dione 17-propionate; clobetasol 17-propanoate; clobetasol 17-propionate

25122-41-2

25122-46-7; Clobetasol propionate (JP16/USP); Clobex (TN); Cormax (TN); D01272; Olux (TN)

AC-1775

AC1L1OG6

AC1NDRJ9

AC1NSJWK

BB_NC-1906

BRD-A26095496-001-02-4

BRD-A63894585-001-03-4

BRD-K10799896-001-10-6

Butavate

C22H28ClFO4

CCI-4725

CCI-4725; GR 2/925

CHEBI:205919

CHEBI:282070; CHEBI:205078

CHEMBL1201362

CID10341542

CID32797

CID4630419

CID5311051

CID9844480

Clobecort Amex

Clobecort Amex (TN)

Clobesol

Clobetasol

Clobetasol (BAN

Clobetasol (INN)

Clobetasol (O-propionate)

Clobetasol Propionate

Clobetasol Propionate (FDA

CLOBETASOL PROPIONATE; CPD000058745; SAM002564250

Clobetasol [INN:BAN]

Clobetasolum

Clobetasolum [INN-Latin]

CLOBEX

Clofenazon

CPD000058745; Clobetasol propionate; SAM002564250

D07715

DAP001183

Decloban

Dermovate

EINECS 246-633-8

GR-2/925

INN)

INN); Clobetasol Propionate (FDA

JAN

LS-174086

MFCD00058499

MolPort-005-909-335

Myalone

N/A

NCGC00164580-01

Pregna-1,4-diene-3,20-dione, 21-chloro-9-fluoro-11,17-dihydroxy-16-methyl-, (11beta,16beta)-

Propionic acid (9R,10S,11S,13S,16S,17R)-17-(2-chloro-acetyl)-9-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthren-17-yl ester

STK801976

Temovate

UNII-ADN79D536H

USAN

USAN); Clobetasol (BAN

USP

USP)

USP); Clobetasol (BAN

ZINC26892643

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.68 10.83 -15.33 1 5 0 81 466.977 5 ↓

Vendor Notes

Note Type Comments Provided By
biological_use Antiinflammatory ZereneX Building Blocks
biological_use Antiallergic agent IBScreen Bioactives
biological_use Antiinflammatory IBScreen Bioactives IBScreen Bioactives
mechanism Corticosteroid ZereneX Building Blocks
biological_use Dermatological agent IBScreen Bioactives
Target Glucocorticoid Receptor Selleck Chemicals
Therapy glucocorticoid, antiinflammatory SMDC Pharmakon
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : C-0631; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
Target Others Selleck Chemicals
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: C-0631; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem
biological_use Used to treat eczema and psoriasis IBScreen Bioactives

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 3 0.37 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_RAT P06536 Glucocorticoid Receptor, Rat 3.17 0.37 Binding ≤ 1μM
GCR_RAT P06536 Glucocorticoid Receptor, Rat 3.17 0.37 Binding ≤ 10μM

Analogs ( Draw Identity 99% 90% 80% 70% )