luminespib

Ligand id: 9261

Name: luminespib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 108.06
Molecular weight 465.23
XLogP 3.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
International Nonproprietary Names
INN number INN
9678 luminespib
Synonyms
AUY922 | NVP-AUY922
Database Links
PubChem CID 53401173
RCSB PDB Ligand 2GJ
Search Google for chemical match using the InChIKey NDAZATDQFDPQBD-UHFFFAOYSA-N
Search Google for chemicals with the same backbone NDAZATDQFDPQBD
Search PubMed clinical trials luminespib
Search PubMed titles luminespib
Search PubMed titles/abstracts luminespib
Search UniChem for chemical match using the InChIKey NDAZATDQFDPQBD-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone NDAZATDQFDPQBD
Comments
Luminespib (NVP-AUY922) is an intravenous HSP90 inhibitor with the potential to target a range of cancers. Discovered during a research collaboration with Novartis, Vernalis is now looking to partner the programme. We have drawn the structure as depicted in its INN record. Other chemistry resources show alternative tautomers. For example, PubChem CID 10096043 matches on CAS registry number, but is a structural tautomer.