TELRATOLIMOD


Synonyms	3M-052 MEDI9197 Medi 9197 Medi-9197 Medi9197 Telratolimod
Status
Molecule Category	UNKNOWN
UNII	16598XQ2BT


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	RRTPWQXEERTRRK-UHFFFAOYSA-N
Smiles	CCCCCCCCCCCCCCCCCC(=O)NCCCCOn1c(CCCC)nc2c(N)nc3ccccc3c21
InChI	InChI=1S/C36H59N5O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-27-33(42)38-28-22-23-29-43-41-32(26-6-4-2)40-34-35(41)30-24-20-21-25-31(30)39-36(34)37/h20-21,24-25H,3-19,22-23,26-29H2,1-2H3,(H2,37,39)(H,38,42)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C36H59N5O2
Molecular Weight	593.9
AlogP	9.1
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	25.0
Polar Surface Area	95.06
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	43.0

Bioactivity

Mechanism of Action	Action	Reference
Toll-like receptor 7 agonist	AGONIST	PubMed


Protein: Toll-like receptor 8 Description: Toll-like receptor 8 Organism : Homo sapiens Q9NR97 ENSG00000101916










Protein: Toll-like receptor 7 Description: Toll-like receptor 7 Organism : Homo sapiens Q9NYK1 ENSG00000196664

Cross References

Resources	Reference
ChEMBL	CHEMBL4297631
FDA SRS	16598XQ2BT
PubChem	56833311
SureChEMBL	SCHEMBL671176

CONTENTS


PREMIER has received funding from the 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 this manuscript contains. Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

PREMIER has received funding from the 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 this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).