pentoxifylline


SMILES CC(=O)CCCCn1c(=O)c2n(C)cnc2n(c1=O)C
InChIKey BYPFEZZEUUWMEJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 278.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pKi 5.29 5.29 5.29 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Bovine Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 8.28 8.28 8.28 Drug Central
A2B AA2BR Human Adenosine A pKi 5.29 5.29 5.29 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
M1 ACM1 Rat Acetylcholine (muscarinic) A Potency 7.15 7.15 7.15 ChEMBL
RXFP1 RXFP1 Human Relaxin family peptide A Potency 4.75 4.78 4.8 ChEMBL
TSH TSHR Human Glycoprotein hormone A Potency 4.5 4.7 4.8 ChEMBL