mibolerone   Click here for help

GtoPdb Ligand ID: 2859

Synonyms: (7alpha,17beta)-17-hydroxy-7,17-dimethylestr-4-en-3-one
Compound class: Synthetic organic
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 302.22
XLogP 4.15
No. Lipinski's rules broken 0
Click here for help
Isomeric SMILES O=C1CC[C@H]2C(=C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@]2(C)O)C)C
InChI InChI=1S/C20H30O2/c1-12-10-13-11-14(21)4-5-15(13)16-6-8-19(2)17(18(12)16)7-9-20(19,3)22/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15+,16-,17+,18-,19+,20+/m1/s1
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
3203 mibolerone
Synonyms Click here for help
Database Links Click here for help
BindingDB Ligand 26258
CAS Registry No. 3704-09-4 (source: Scifinder)
ChEMBL Ligand CHEMBL425863
GtoPdb PubChem SID 135650607
PubChem CID 251636
Search Google for chemical match using the InChIKey PTQMMNYJKCSPET-OMHQDGTGSA-N
Search Google for chemicals with the same backbone PTQMMNYJKCSPET
Search PubMed clinical trials mibolerone
Search PubMed titles mibolerone
Search PubMed titles/abstracts mibolerone
UniChem Compound Search for chemical match using the InChIKey PTQMMNYJKCSPET-OMHQDGTGSA-N
UniChem Connectivity Search for chemical match using the InChIKey PTQMMNYJKCSPET-OMHQDGTGSA-N
Wikipedia Mibolerone