DANAZOL

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC G03XA01
UNII N29QWW3BUO
EPA CompTox DTXSID2022880

Structure

InChI Key POZRVZJJTULAOH-LHZXLZLDSA-N
Smiles C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=Cc5oncc5C[C@]4(C)[C@H]3CC[C@@]21C
InChI
InChI=1S/C22H27NO2/c1-4-22(24)10-8-18-16-6-5-15-11-19-14(13-23-25-19)12-20(15,2)17(16)7-9-21(18,22)3/h1,11,13,16-18,24H,5-10,12H2,2-3H3/t16-,17+,18+,20+,21+,22+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H27NO2
Molecular Weight 337.46
AlogP 4.22
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Polar Surface Area 46.26
Molecular species NEUTRAL
Aromatic Rings 1.0
Heavy Atoms 25.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Androgen Receptor agonist AGONIST ISBN PubMed FDA
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 30
Enzyme
- 12-77 - 20 30
Secreted protein
- - 6.31 - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 80.9-95.7
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 80.9-95.7
Homo sapiens
- 12-77 6.31 20 -
Rattus norvegicus
- 87.5 - - -

Target Conservation

Protein: Progesterone receptor
Description: Progesterone receptor
Organism : Homo sapiens
P06401 ENSG00000082175
Protein: Androgen Receptor
Description: Androgen receptor
Organism : Homo sapiens
P10275 ENSG00000169083

Cross References

Resources Reference
ChEBI 4315
ChEMBL CHEMBL1479
DrugBank DB01406
DrugCentral 779
FDA SRS N29QWW3BUO
Human Metabolome Database HMDB0002835
Guide to Pharmacology 6942
KEGG C06938
PDB QA1
PharmGKB PA164749056
PubChem 28417
SureChEMBL SCHEMBL21107
ZINC ZINC000003881958
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