compound 1a [PMID: 17556356]

Ligand id: 2833

Name: compound 1a [PMID: 17556356]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 16.96
Molecular weight 332.23
XLogP 7.3
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
1-cyclohexyl-N-[[1-(4-methylphenyl)indol-3-yl]methyl]methanamine
Database Links
BindingDB Ligand 22420
ChEMBL Ligand CHEMBL478524
DrugBank Ligand DB06833
GtoPdb PubChem SID 135650147
PubChem CID 16122612
RCSB PDB Ligand 47, 047
Search Google for chemical match using the InChIKey MMIJMYOYKAKQPN-UHFFFAOYSA-N
Search Google for chemicals with the same backbone MMIJMYOYKAKQPN
Search UniChem for chemical match using the InChIKey MMIJMYOYKAKQPN-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone MMIJMYOYKAKQPN