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
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.
Database Links
CAS Registry No. 1370261-96-3
ChEMBL Ligand CHEMBL2177736
GtoPdb PubChem SID 249565750
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