compound 15b [PMID: 18334293]   

GtoPdb Ligand ID: 8157

Synonyms: Scios-15b
Compound class: Synthetic organic
Comment: Compound 15b is a potent inhibitor of calcium/calmodulin-dependent protein kinase II delta (CAMK2D) reported in [1].
2D Structure
Click here for structure editor
Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Topological polar surface area 53.08
Molecular weight 365.14
XLogP 4.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1
Isomeric SMILES Clc1cccc(c1)Nc1nccc(n1)c1cccc(c1)N1CCNCC1
InChI InChI=1S/C20H20ClN5/c21-16-4-2-5-17(14-16)24-20-23-8-7-19(25-20)15-3-1-6-18(13-15)26-11-9-22-10-12-26/h1-8,13-14,22H,9-12H2,(H,23,24,25)
InChI Key UGXVRWRXHWTSCU-UHFFFAOYSA-N
Classification
Compound class Synthetic organic
IUPAC Name
N-(3-chlorophenyl)-4-[3-(piperazin-1-yl)phenyl]pyrimidin-2-amine
Synonyms
Scios-15b
Database Links
BindingDB Ligand 50374977
ChEMBL Ligand CHEMBL270849
GtoPdb PubChem SID 249565837
PubChem CID 44453784
Search Google for chemical match using the InChIKey UGXVRWRXHWTSCU-UHFFFAOYSA-N
Search Google for chemicals with the same backbone UGXVRWRXHWTSCU
Search UniChem for chemical match using the InChIKey UGXVRWRXHWTSCU-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone UGXVRWRXHWTSCU