clorgiline   Click here for help

GtoPdb Ligand ID: 6636

Synonyms: chlorgyline | clorgyline
PDB Ligand
Compound class: Synthetic organic
Comment: Clorgiline is an analogue of pargyline.
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 1
Hydrogen bond donors 0
Rotatable bonds 6
Topological polar surface area 12.47
Molecular weight 271.05
XLogP 3.66
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES C#CCN(CCCOc1ccc(cc1Cl)Cl)C
Isomeric SMILES C#CCN(CCCOc1ccc(cc1Cl)Cl)C
InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
InChI Key BTFHLQRNAMSNLC-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
N-[3-(2,4-dichlorophenoxy)propyl]-N-methylprop-2-yn-1-amine
International Nonproprietary Names Click here for help
INN number INN
2836 clorgiline
Synonyms Click here for help
chlorgyline | clorgyline
Database Links Click here for help
CAS Registry No. 17780-72-2
ChEMBL Ligand CHEMBL8706
GtoPdb PubChem SID 178103249
PubChem CID 4380
RCSB PDB Ligand MLG
Search Google for chemical match using the InChIKey BTFHLQRNAMSNLC-UHFFFAOYSA-N
Search Google for chemicals with the same backbone BTFHLQRNAMSNLC
Search PubMed clinical trials clorgiline
Search PubMed titles clorgiline
Search PubMed titles/abstracts clorgiline
Search UniChem for chemical match using the InChIKey BTFHLQRNAMSNLC-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone BTFHLQRNAMSNLC
SynPHARM 78568 (in complex with Monoamine oxidase A)
Wikipedia Clorgiline