RV1729

Ligand id: 10162

Name: RV1729

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 15
Topological polar surface area 163.51
Molecular weight 734.27
XLogP 5.8
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
6-[2-[[4-amino-3-(3-hydroxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]methyl]-3-[(2-chlorophenyl)methyl]-4-oxoquinazolin-5-yl]-N,N-bis(2-methoxyethyl)hex-5-ynamide
Synonyms
RV-1729
Comments
RV1729 is a clinical stage PI3Kγδ inhibitor that is being developed by Janssen Biotech subsidiary RespiVert (and licensed to Pulmatrix in 2017). The chemical structure is claimed in patent WO/2012/052753 [1-2].
Database Links
BindingDB Ligand 200639
CAS Registry No. 1293915-42-0 (source: PubChem)
ChEMBL Ligand CHEMBL3919512
GtoPdb PubChem SID 381118872
PubChem CID 52913198
Search Google for chemical match using the InChIKey UBLOHCIYTDRGJH-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UBLOHCIYTDRGJH
Search UniChem for chemical match using the InChIKey UBLOHCIYTDRGJH-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UBLOHCIYTDRGJH