compound 15 [PMID: 32045236]

Ligand id: 10706

Name: compound 15 [PMID: 32045236]

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 13
Hydrogen bond donors 6
Rotatable bonds 6
Topological polar surface area 242.99
Molecular weight 550.95
XLogP -2.87
No. Lipinski's rules broken 2

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-Iodoadenosine-5′-O-[(phosphonomethyl)phosphonic Acid]
Comments
Compound 15 is a small molecule, ADP analogue-based CD73 (ecto-5'-nucleotidase) inhibitor [1]. Mechanisms to inhibit CD73 activity are being exploited for immuno-oncology potential, and are exemplified by the progress of the anti-CD73 monoclonal oleclumab and the small molecule inhibitor AB680 into clinical trials as treatments for advanced solid tumours.
Database Links
GtoPdb PubChem SID 404859153
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