BX-795

Ligand id: 8006

Name: BX-795

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 12
Topological polar surface area 139.52
Molecular weight 591.09
XLogP 3.98
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[[5-iodo-4-[3-(thiophene-2-carbonylamino)propylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
Synonyms
BX 795 | BX795
Database Links
CAS Registry No. 702675-74-9
ChEMBL Ligand CHEMBL577784
GtoPdb PubChem SID 249565686
PubChem CID 10077147
RCSB PDB Ligand BX7
Search Google for chemical match using the InChIKey VAVXGGRQQJZYBL-UHFFFAOYSA-N
Search Google for chemicals with the same backbone VAVXGGRQQJZYBL
Search UniChem for chemical match using the InChIKey VAVXGGRQQJZYBL-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone VAVXGGRQQJZYBL
Comments
BX-795 is a potent, ATP-competitive and specific inhibitor of 3-phosphoinositide dependent protein kinase 1 (PDK1). The discovery of BX-795 is described in [2] and is covered by patent WO2004048343 [1]. The PDK1/Akt signaling pathway plays a key role in cancer cell growth, survival, and tumour angiogenesis and represents a promising target for oncology therapeutics.