Cl-IB-MECA

Ligand id: 457

Name: Cl-IB-MECA

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 134.42
Molecular weight 544.01
XLogP 2.38
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
(2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide
Synonyms
2Cl-IB-MECA
Database Links
BindingDB Ligand 21221
CAS Registry No. 163042-96-4 (source: Scifinder)
ChEMBL Ligand CHEMBL431733
GtoPdb PubChem SID 135650107
PubChem CID 3035850
Search Google for chemical match using the InChIKey IPSYPUKKXMNCNQ-PFHKOEEOSA-N
Search Google for chemicals with the same backbone IPSYPUKKXMNCNQ
Search UniChem for chemical match using the InChIKey IPSYPUKKXMNCNQ-PFHKOEEOSA-N
Search UniChem for chemicals with the same backbone IPSYPUKKXMNCNQ