SB 218078

Ligand id: 6037

Name: SB 218078

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 65.26
Molecular weight 393.11
XLogP 4.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
28-oxa-4,14,19-triazaoctacyclo[12.11.2.1^{15,18}.0^{2,6}.0^{7,27}.0^{8,13}.0^{19,26}.0^{20,25}]octacosa-1(26),2(6),7(27),8,10,12,20,22,24-nonaene-3,5-dione
Synonyms
SB-218078
Database Links
CAS Registry No. 135897-06-2
ChEMBL Ligand CHEMBL304428
PubChem CID 3387354
Search Google for chemical match using the InChIKey OTPNDVKVEAIXTI-UHFFFAOYSA-N
Search Google for chemicals with the same backbone OTPNDVKVEAIXTI
Search UniChem for chemical match using the InChIKey OTPNDVKVEAIXTI-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone OTPNDVKVEAIXTI
Comments
SB 218078 inhibits activity of checkpoint kinase 1 (CHK1). It is compound 10 in [4] and was originally described as a PKC inhibitor.