URMC-099

Ligand id: 8106

Name: URMC-099

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 50.95
Molecular weight 421.23
XLogP 4.32
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(1H-indol-5-yl)-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
Synonyms
compound 1 [PMID 24044867] [1]
Database Links
CAS Registry No. 1229582-33-5
ChEMBL Ligand CHEMBL2436978
PubChem CID 54764565
Search Google for chemical match using the InChIKey QKKIWEILHCXECO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone QKKIWEILHCXECO
Search UniChem for chemical match using the InChIKey QKKIWEILHCXECO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone QKKIWEILHCXECO
Comments
URMC-099 is an orally bioavailable, brain penetrant inhibitor of mixed lineage kinase 3 (MLK3) and leucine-rich repeat kinase 2 (LRRK2) [1]. URMC-099 is being investigated as a lead compound with a novel mechanism of action for the treatment of Parkinson's disease and HIV-1 associated neurocognitive disorders (HAND).