UCSF

ZINC03875560

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 27 No

Popular Name: Methylprednisolone Methylprednisolone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 83-42-2 , 83-43-2 , [83-43-2]

Other Names:

(11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione

(6a,11b)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione

(6alpha,11beta)-11,17,21-Trihydroxy-6-methylpregna-1,4-diene-3,20-dione

(6alpha,11beta)-11,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione; 1-dehydro-6alpha-methylhydrocortisone; 6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione; Delta(1)-6alpha-methylhydrocortisone; Methylprednisolon

(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-Dihydroxy-17-(2-hydroxy-acetyl)-6,10,13-trimethyl-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-cyclopenta[a]phenanthren-3-one

(6S,8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-17-(2-hydroxyacetyl)-6,10,13-trimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

olone

pred-

.DELTA.1-6.alpha.-Methylhydrocortisone

1-Dehydro-6alpha-methylhydrocortisone

1-Dehydro-6alpha-methylhydrocortisone; 11-beta,17,21-Trihydroxy-6-alpha-methylpregna-1,4-diene-3,20-dione; 11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione; 11beta,17alpha,21-Trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione; 6-Methylpre

11-beta,17,21-Trihydroxy-6-alpha-methylpregna-1,4-diene-3,20-dione

11beta,17,21-trihydroxy-6-methylpregna-1,4-diene-3,20-dione

11beta,17,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

11beta,17alpha,21-Trihydroxy-6alpha-methyl-1,4-pregnadiene-3,20-dione

11beta,17alpha,21-Trihydroxy-6alpha-methylpregna-1,4-diene-3,20-dione

121673-01-6

4-08-00-03498 (Beilstein Handbook Reference)

46436_FLUKA

46436_RIEDEL

570-35-4

6 Methylprednisolone

6-alfa-Methylprednisolone

6-alpha-Methylprednisolone

6-Methylprednisolone

6.alpha.-Methylprednisolone

6923-42-8

6alpha-Methyl-11beta,17alpha,21-trihydroxy-1,4-pregnadiene-3,20-dione

6alpha-methyl-11beta,17alpha,21-triol-1,4-pregnadiene-3,20-dione

6alpha-Methylprednisolone

6alpha-Methylprednisolone;Methyleneprednisolone;Methylprednisolon;Methylprednisolonum [INN-Latin];Metilprednisolona [INN-Spanish];Metilprednisolone [Dcit]

83-43-2

83-43-2; D00407; Medrol (TN); Methylprednisolone (JP16/USP/INN)

83-43-2; Methylprednisolone, 6-alpha; Prestwick_622

AC1L1N7A

Artisone-Wyeth

BAN

Besonia

Bio-0658

BPBio1_000174

BRD-A53176877-001-02-7

BRD-K35240538-001-03-1

BRN 2340300

BSPBio_000158

CHEBI:6888

CHEMBL650

CID6741

CPD000058330

CPD000058330; METHYLPREDNISOLONE; Medrol; SAM002589984

CPD000058330; METHYLPREDNISOLONE; SAM002589984

D00407

D008775

DAP001040

DB00959

delta(1)-6alpha-Methylhydrocortisone

delta(sup 1)-6-alpha-Methylhydrocortisone

DepMedalone

Depo-Medrol

Depo-Medrol (acetate)

Dopomedrol

EINECS 201-476-4

Esametone

FDA

Firmacort

HMS1568H20

HMS2090B13

HSDB 3127

INN

JAN

JAN)

Lemod

LMST02030178

LS-118498

M0639_SIGMA

M1665

Medesone

Medixon

Medlone 21

Medrate

Medrate; Medrol; Medrone; Solomet; Urbason

Medrol

Medrol (TN)

Medrol Adt Pak

Medrol Dosepak

Medrol, Solu-Medrol, Medrone

Medrol, Solu-Medrol, Medrone, Methylprednisolone

Medrone

MEPRDL

Mesopren

Metastab

Methyleneprednisolone

Methylprednisolon

Methylprednisolone & Salts

Methylprednisolone (BAN

Methylprednisolone (FDA

Methylprednisolone (JP15/USP/INN)

Methylprednisolone [USAN:INN:BAN:JAN]

Methylprednisolone, 6-alpha

Methylprednisolone-gellan ester

methylprednisolone; methylprednisolonum; metilprednisolona

Methylprednisolonum

Methylprednisolonum [INN-Latin]

methylprenisolone

Metilbetasone

Metilprednisolona

Metilprednisolona [INN-Spanish]

Metilprednisolone

Metilprednisolone [Dcit]

Metipred

Metrisone

Metrocort

Metysolon

MFCD00010591

MLS000028541

MLS001148159

MLS002207191

Moderin

MolPort-002-528-554

NCGC00022735-03

NCI60_001657

Nirypan

Noretona

NSC-19987

NSC19987

Predni N Tablinen

Prednisolone, 6.alpha.-methyl-

Prednisolone, 6alpha-methyl-

Prednisolone, methyl-

Prednol- L

Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6.alpha.,11.beta.)-

Pregna-1,4-diene-3,20-dione, 11,17,21-trihydroxy-6-methyl-, (6alpha,11beta)-

Pregna-1,4-diene-3,20-dione, 11.beta.,17,21-trihydroxy-6.alpha.-methyl-

Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl-

Pregna-1,4-diene-3,20-dione, 11beta,17,21-trihydroxy-6alpha-methyl- (8CI)

Pregna-1,4-diene-3,20-dione, 6-alpha-methyl-11-beta-17,21-trihydroxy-

Pregna-1,4-diene-3,20-dione, 6.alpha.-methyl-11.beta.-17,21-trihydroxy-

Prestwick0_000279

Prestwick1_000279

Prestwick2_000279

Prestwick3_000279

Prestwick_622

Promacortine

Reactenol

S1733_Selleck

SAM002589984

Sieropresol

SMR000058330

Solomet

Solu-Medrol

SPBio_002377

Summicort

Suprametil

U 7532

U-67590A

UNII-X4W7ZR7023

Urbason

Urbasone

USP

USP)

USP); Methylprednisolone Acetate (FDA

Wyacort

ZINC03875560

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.07 3.59 -15.94 3 5 0 95 374.477 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.09e-01 g/l DrugBank-approved
MP 237 TCI
mechanism ACTH antagonist IBScreen Bioactives
mechanism ACTH secretion inhibitor IBScreen Bioactives
Indications anti-inflammatory, antiasthmatic, arthritis KeyOrganics Bioactives
Indications antiinflammatory, antiasthmatic, arthritis KeyOrganics Bioactives
mechanism Calcium mobilizer IBScreen Bioactives
mechanism Causes protein catabolism IBScreen Bioactives
PUBCHEM_PATENT_ID EP0208395A1; EP0301966A2; EP0301966B1; US4017605; US4207316; US4466953; US4470962; US4573996; US4828828; US5190936; US5554386; US5859001; US6010716; WO1995034325A1 IBM Patent Data
mechanism Glucocorticoid IBScreen Bioactives
Target Glucocorticoid Receptor Selleck Chemicals
mechanism Glucocorticoid IBScreen Bioactives
mechanism Gluconeogenesis promoter IBScreen Bioactives
mechanism Glycogen deposition inhibitor IBScreen Bioactives
biological_use Immunomodulator IBScreen Bioactives IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : M-3906; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE TO OFF-WHITE NIH Clinical Collection via PubChem
UniProt Database Links NPHP3_MOUSE ChEBI
Target Others Selleck Chemicals
mechanism Phosphorus mobilizer IBScreen Bioactives
biological_use Potent antiinflammatory agent IBScreen Bioactives
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: M-3906; SUPPLIER_COMMENTS: WHITE TO OFF-WHITE NIH Clinical Collection via PubChem
Patent Database Links US2008214545; US2008261978; US2008293711; WO2005110994; WO2007089617 ChEBI

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.