compound 15b [PMID: 16539403]

Ligand id: 8194

Name: compound 15b [PMID: 16539403]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 68.76
Molecular weight 359.17
XLogP 2.86
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-[6-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)benzimidazol-1-yl]propan-1-ol
Database Links
BindingDB Ligand 50184490
ChEMBL Ligand CHEMBL203619
PubChem CID 10361101
Search Google for chemical match using the InChIKey SYCWRTUPLPDKDX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone SYCWRTUPLPDKDX
Search UniChem for chemical match using the InChIKey SYCWRTUPLPDKDX-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone SYCWRTUPLPDKDX
Comments
Compound 15b was desigend and assessed in a medicinal chemistry study to identify selective inhibitors of transforming growth factor-beta type I receptor kinase (TGFβR1) [1].