compound 25e [PMID: 25875054]

Ligand id: 9443

Name: compound 25e [PMID: 25875054]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 4
Topological polar surface area 41.37
Molecular weight 440.12
XLogP 3.41
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl){6-[(dimethylamino)methyl]-(+)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Synonyms
(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl){6-[(dimethylamino)methyl]-(+)-4-methyl-3,4-dihydroisoquinolin-2(1H)-yl}methanone
Database Links
BindingDB Ligand 50045838
ChEMBL Ligand CHEMBL3314358
PubChem CID 78210300
Search Google for chemical match using the InChIKey BSGIKRCNMBTGEB-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BSGIKRCNMBTGEB
Search UniChem for chemical match using the InChIKey BSGIKRCNMBTGEB-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BSGIKRCNMBTGEB
Comments
For the original publication reporting the design and development of the series of pyrrolo[2,3-c]pyridines as QRFP receptor small molecule antagonists, including compound 25e, see [1].