P505-15

Ligand id: 8070

Name: P505-15

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 149.66
Molecular weight 393.2
XLogP 1.24
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[(1R,2S)-2-aminocyclohexyl]amino]-4-[3-(triazol-2-yl)anilino]pyrimidine-5-carboxamide
Synonyms
BIIB057 | PRT-062607 | PRT062607
Database Links
CAS Registry No. 1370261-96-3
ChEMBL Ligand CHEMBL2177736
PubChem CID 44462758
RCSB PDB Ligand 3YT
Search Google for chemical match using the InChIKey TXGKRVFSSHPBAJ-JKSUJKDBSA-N
Search Google for chemicals with the same backbone TXGKRVFSSHPBAJ
Search UniChem for chemical match using the InChIKey TXGKRVFSSHPBAJ-JKSUJKDBSA-N
Search UniChem for chemicals with the same backbone TXGKRVFSSHPBAJ
Comments
P505-15 is an investigational, potent and selective inhibitor of spleen tyrosine kinase (Syk) [1]. This is a tool compound suitable for analysis of the role played by Syk in modulating immune function in human diseases.
The compound may be used as the hydrochloride salt.