EcoDrugPlus


Synonyms	CT 1501R CT-1501R Lisofylline Lisofylline, (r)- Protec
Status
Molecule Category	Free-form
UNII	L1F2Q2X956
EPA CompTox	DTXSID7058709


InChI Key	NSMXQKNUPPXBRG-SECBINFHSA-N
Smiles	C[C@@H](O)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O
InChI	InChI=1S/C13H20N4O3/c1-9(18)6-4-5-7-17-12(19)10-11(14-8-15(10)2)16(3)13(17)20/h8-9,18H,4-7H2,1-3H3/t9-/m1/s1

Property Name	Value
Molecular Formula	C13H20N4O3
Molecular Weight	280.33
AlogP	-0.02
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	5.0
Polar Surface Area	82.05
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	20.0

Resources	Reference
ChEBI	143527
ChEMBL	CHEMBL1411
DrugBank	DB12406
FDA SRS	L1F2Q2X956
Guide to Pharmacology	9225
PubChem	501254
SureChEMBL	SCHEMBL39131
ZINC	ZINC000001887263

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

LISOFYLLINE

Structure

Physicochemical Descriptors

Related Entries

Cross References