EcoDrugPlus


Synonyms	Belotecan
Status
Molecule Category	Free-form
ATC	L01CE04
UNII	27Z82M2G1N
EPA CompTox	DTXSID60180332

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

Agrochemicals

Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	LNHWXBUNXOXMRL-VWLOTQADSA-N
Smiles	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C
InChI	InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C25H27N3O4
Molecular Weight	433.51
AlogP	2.62
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	5.0
Polar Surface Area	93.45
Molecular species	BASE
Aromatic Rings	3.0
Heavy Atoms	32.0

Mechanism of Action	Action	Reference
DNA topoisomerase I inhibitor	INHIBITOR	PubMed PubMed PubMed

Target Conservation


Protein: DNA topoisomerase I Description: DNA topoisomerase 1 Organism : Homo sapiens P11387 ENSG00000198900

Cross References

Resources	Reference
ChEBI	135702
ChEMBL	CHEMBL2111084
DrugBank	DB12459
DrugCentral	296
FDA SRS	27Z82M2G1N
PubChem	6456014
SureChEMBL	SCHEMBL18983
ZINC	ZINC000003826691

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

BELOTECAN

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References