AT-406

Ligand id: 7729

Name: AT-406

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 12
Topological polar surface area 110.85
Molecular weight 561.33
XLogP 6.16
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5S,8S,10aR)-N-benzhydryl-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
Synonyms
AT 406 | AT406 | QCR-136 | SM 406
Database Links
CAS Registry No. 1071992-99-8
ChEMBL Ligand CHEMBL2158051
GtoPdb PubChem SID 223366062
PubChem CID 25022340
Search Google for chemical match using the InChIKey LSXUTRRVVSPWDZ-MKKUMYSQSA-N
Search Google for chemicals with the same backbone LSXUTRRVVSPWDZ
Search UniChem for chemical match using the InChIKey LSXUTRRVVSPWDZ-MKKUMYSQSA-N
Search UniChem for chemicals with the same backbone LSXUTRRVVSPWDZ