tanaproget

Ligand id: 7416

Name: tanaproget

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.07
Molecular weight 297.09
XLogP 3.43
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
5-(4,4-dimethyl-2-sulfanylidene-2,4-dihydro-1H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile
International Nonproprietary Names
INN number INN
8427 tanaproget
Synonyms
NSP-989
Database Links
CAS Registry No. 304853-42-7
ChEMBL Ligand CHEMBL539163
DrugBank Ligand DB04787
PubChem CID 4369524
RCSB PDB Ligand T98
Search Google for chemical match using the InChIKey PYVFWTPEBMRKSR-UHFFFAOYSA-N
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Search PubMed clinical trials tanaproget
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Search UniChem for chemical match using the InChIKey PYVFWTPEBMRKSR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone PYVFWTPEBMRKSR
SynPHARM 80081 (in complex with Progesterone receptor)
Wikipedia Tanaproget
Comments
Tanaproget is an experimental nonsteroidal progesterone receptor agonist.