Cl-IB-MECA

Ligand id: 457

Name: Cl-IB-MECA

2D Structure

Calculated Physico-chemical Properties
Hydrogen bond acceptors	9
Hydrogen bond donors	4
Rotatable bonds	6
Topological polar surface area	134.42
Molecular weight	544.01
XLogP	2.91
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

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

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

2-Cl-IB-MECA Cat. No. 1104

2-Cl-IB-MECA
Cat. No. 1104