ORG 214007-0   Click here for help

GtoPdb Ligand ID: 11310

Synonyms: [(-)-N-(2S,10S,14bS)]-N-(8-cyano-1,2,3,4,10,14b-hexahydro-10-methyl dibenzo[c,f]pyrido[1,2-a]azepin-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide]] | ORG214007-0
Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: ORG 214007-0 is a non-steroidal, selective glucocorticoid receptor (GR) modulator [1]. It retains full anti-inflammatory activity compared to traditional steroidal GR modulators.
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 6
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 110.15
Molecular weight 429.16
XLogP 4.37
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES N#Cc1ccc2c(c1)[C@@H](C)c1ccccc1[C@H]1N2CC[C@@H](C1)NC(=O)c1snnc1C
Isomeric SMILES N#Cc1ccc2c(c1)[C@@H](C)c1ccccc1[C@H]1N2CC[C@@H](C1)NC(=O)c1snnc1C
InChI InChI=1S/C24H23N5OS/c1-14-18-5-3-4-6-19(18)22-12-17(26-24(30)23-15(2)27-28-31-23)9-10-29(22)21-8-7-16(13-25)11-20(14)21/h3-8,11,14,17,22H,9-10,12H2,1-2H3,(H,26,30)/t14-,17-,22-/m0/s1
InChI Key BUWMTEGCNUYHSZ-JKXTWKSPSA-N
Classification Click here for help
Compound class Synthetic organic
Synonyms Click here for help
[(-)-N-(2S,10S,14bS)]-N-(8-cyano-1,2,3,4,10,14b-hexahydro-10-methyl dibenzo[c,f]pyrido[1,2-a]azepin-2-yl)-4-methyl-1,2,3-thiadiazole-5-carboxamide]] | ORG214007-0
Database Links Click here for help
GtoPdb PubChem SID 434321745
PubChem CID 154659439
Search Google for chemical match using the InChIKey BUWMTEGCNUYHSZ-JKXTWKSPSA-N
Search Google for chemicals with the same backbone BUWMTEGCNUYHSZ
Search UniChem for chemical match using the InChIKey BUWMTEGCNUYHSZ-JKXTWKSPSA-N
Search UniChem for chemicals with the same backbone BUWMTEGCNUYHSZ