tanaproget   Click here for help

GtoPdb Ligand ID: 7416

Synonyms: NSP-989
PDB Ligand
Compound class: Synthetic organic
Comment: Tanaproget is an experimental nonsteroidal progesterone receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Topological polar surface area 82.07
Molecular weight 297.09
XLogP 3.45
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES N#Cc1ccc(n1C)c1ccc2c(c1)C(C)(C)OC(=S)N2
Isomeric SMILES N#Cc1ccc(n1C)c1ccc2c(c1)C(C)(C)OC(=S)N2
InChI InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
InChI Key PYVFWTPEBMRKSR-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
5-(4,4-dimethyl-2-sulfanylidene-2,4-dihydro-1H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile
International Nonproprietary Names Click here for help
INN number INN
8427 tanaproget
Synonyms Click here for help
NSP-989
Database Links Click here for help
CAS Registry No. 304853-42-7
ChEMBL Ligand CHEMBL539163
DrugBank Ligand DB04787
GtoPdb PubChem SID 178103988
PubChem CID 4369524
RCSB PDB Ligand T98
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SynPHARM 80081 (in complex with Progesterone receptor)
Wikipedia Tanaproget