UCSF

ZINC03881958

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 25 No

Popular Name: Danazol Danazol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 17230-88-5 , [17230-88-5]

Other Names:

(17a)-Pregna-2,4-dien-20-yno[2,3-D]isoxazol-17-ol;1-Ethynyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-10a,12a-dimethyl-1H-Cyclopenta[7,8]phenanthro[3,2-D]isoxazol-1-ol;17 alpha-Pregna-2,4-dien-20-yno[2,3-D] isoxazol-17 beta-ol;17a-Pregna-2,4-dien-20-

(1R,3aS,3bR,10aR,10bS,12aS)-1-ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol

(1S,2R,13R,14S,17R,18S)-17-ethynyl-2,18-dimethyl-7-oxa-6-azapentacyclo[11.7.0.0^{2,10}.0^{4,8}.0^{14,18}]icosa-4(8),5,9-trien-17-ol

1-Ethynyl-10a,12a-dimethyl-2,3,3a,3b,4,5,10,10a,10b,11,12,12a-dodecahydro-1H-cyclopenta[7,8]phenanthro[3,2-d]isoxazol-1-ol

17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol

17-alpha-2,4-Pregnadien-20-yno(2,3-d)isoxazol-17-ol; 17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol; 17-alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol; 17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol; C22H27NO2; CCRIS 6747; Chronogyn; DANAZOL; DAN

17-alpha-Pregn-4-en-20-yno(2,3-d)isoxazol-17-ol

17-alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol

17.Alpha.-Pregna-2, {4-dien-20-yno[2,3-d]isoxazol-17-ol}

17230-88-5

17230-88-5; C06938; Danazol

17230-88-5; D00289; Danazol (JP16/USP/INN); Danocrine (TN)

17230-88-5; Danazol; Prestwick_150

17alpha-Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol

2,4,17alpha-Pregnadien-20-yno[2,3-d]­isoxa­zol-17-ol

20-yno[2,3-d]isoxazol-17-ol,} (17.alpha.)-

AC-6836

AC1L1FAD

AC1Q282K

AC1Q29FD

Alphapharm Brand of Danazol

Anatrol

Antigen Brand of Danazol

BPBio1_000100

BRD-A92537424-001-02-1

BRD-K48970916-001-03-0

BSPBio_000090

CCRIS 6747

CHEBI:4315

CHEBI:505364; CHEBI:554019

CHEMBL1479

Chronogyn

CID28417

CPD000058321

CPD000058321; DANAZOL; SAM002564203

Cyclomen

Cyclomen; Danocrine

D00289

D003613

Danatrol

Danazant

Danazol (BAN

Danazol (JAN/USP/INN)

Danazol [USAN:BAN:INN:JAN]

Danazol-ratiopharm

danazol; danazolum

Danazole

Danazolum

Danazolum [INN-Latin]

Danocrine

Danocrine (TN)

Danogen

Danokrin

Danol

Danoval

Danzol

DAP001017

DB01406

EINECS 241-270-1

FDA

HMS1568E12

HMS2090A22

INN

JAN

Kendrick Brand of Danazol

Ladogal

LS-118524

MFCD00056838

MLS001066617

MLS001306473

MolPort-002-513-504

NCGC00164400-01

NCGC00179665-01

Norciden

NSC 270916

NSC270916

Optina

Panacrine

Pregna-2, {4-dien-

Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol, (17alpha)-

Pregna-2,4-dien-20-yno(2,3-d)isoxazol-17-ol,(17alpha)-

Prestwick0_000105

Prestwick1_000105

Prestwick2_000105

Prestwick3_000105

Prestwick_150

ratiopharm Brand of Danazol

SAM002564203

Sanofi Brand of Danazol

Sanofi Synthelabo Brand of Danazol

Sanofi Winthrop Brand of Danazol

SMR000058321

SPBio_002029

STOCK1N-23495

UNII-N29QWW3BUO

USAN

USP)

Vasaloc

Win 17, 757

WIN 17,757

WIN 17757

Win-17,757

WIN-17757

Winobanin

ZINC03881958

[1,2]oxazolo[4',5':2,3]-17alpha-pregn-4-en-20-yn-17-ol

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) 4.25 8.29 -9.21 1 3 0 46 337.463 0 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.76e-02 g/l DrugBank-approved
Therapy anterior pituitary suppressant SMDC Pharmakon
PUBCHEM_PATENT_ID EP0002309A2; EP0002892A1; EP0040932A1; EP0079191A1; EP0100172A1; EP0142309A2; EP0154528A2; EP0154528B1; EP0169062A1; EP0193303A2; EP0193303B1; EP0214254A1; EP0214254B1; EP0231671A1; EP0253503A2; EP0253503B1; EP0253901A1; EP0253901B1; EP0322926A2; EP032292 IBM Patent Data
Patent Database Links EP1611878; EP1859801; EP1870089; EP1988098; US2007185068; US2007219221; US2007248658; US7256185; WO2007089745; WO2007109363; WO2007112581 ChEBI
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-2261; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-2261; SUPPLIER_COMMENTS: WHITE POWDER NIH Clinical Collection via PubChem

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-4-O Plasmodium Falciparum (cluster #4 Of 22), Other Other 7943 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 10000 0.28 Functional ≤ 10μM

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