EcoDrugPlus


Synonyms	ALB-7208 CF-101 CF101 Cf101 IB-MECA Piclidenoson
Status
Molecule Category	Free-form
UNII	30679UMI0N
EPA CompTox	DTXSID50165158

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	JTZRECOPNKCRTE-MOROJQBDSA-N
Smiles	CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(I)cc4)ncnc32)[C@H](O)[C@@H]1O
InChI	InChI=1S/C18H19IN6O4/c1-20-17(28)14-12(26)13(27)18(29-14)25-8-24-11-15(22-7-23-16(11)25)21-6-9-2-4-10(19)5-3-9/h2-5,7-8,12-14,18,26-27H,6H2,1H3,(H,20,28)(H,21,22,23)/t12-,13+,14-,18+/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C18H19IN6O4
Molecular Weight	510.29
AlogP	0.41
Hydrogen Bond Acceptor	9.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	5.0
Polar Surface Area	134.42
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	29.0

Mechanism of Action	Action	Reference
Adenosine A3 receptor agonist	AGONIST	PubMed

Target Conservation


Protein: Adenosine A3 receptor Description: Adenosine receptor A3 Organism : Homo sapiens P0DMS8 ENSG00000282608

Cross References

Resources	Reference
CAS NUMBER	152918-18-8
ChEMBL	CHEMBL3989873
FDA SRS	30679UMI0N
PubChem	123683

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

PICLIDENOSON

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References