BX-912

Ligand id: 8007

Name: BX-912

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 9
Topological polar surface area 110.86
Molecular weight 470.12
XLogP 2.6
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-[3-[[5-bromo-4-[2-(3H-imidazol-4-yl)ethylamino]pyrimidin-2-yl]amino]phenyl]pyrrolidine-1-carboxamide
Synonyms
BX 912 | BX912
Database Links
CAS Registry No. 702674-56-4 (source: Scifinder)
GtoPdb PubChem SID 249565687
PubChem CID 11754511
Search Google for chemical match using the InChIKey DMMILYKXNCVKOJ-UHFFFAOYSA-N
Search Google for chemicals with the same backbone DMMILYKXNCVKOJ
Search UniChem for chemical match using the InChIKey DMMILYKXNCVKOJ-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone DMMILYKXNCVKOJ
Comments
BX-912 is a potent, ATP-competitive and specific inhibitor of 3-phosphoinositide dependent protein kinase 1 (PDK1). The discovery of BX-912 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 [3-4].