EcoDrugPlus


Synonyms	9-nc 9-nitro-20(s)-camptothecin 9-nitro-20-(s)-camptothecin 9-nitrocamptothecin RFS 2000 RFS-2000 RFS2000 Rubitecan
Status
Molecule Category	Free-form
UNII	H19C446XXB
EPA CompTox	DTXSID7046752

Datasets:

Active Pharmaceutical Ingredients

Bioactive chemicals

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Human Metabolites

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SubStructure

Threshold (%) >= 70


InChI Key	VHXNKPBCCMUMSW-FQEVSTJZSA-N
Smiles	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c([N+](=O)[O-])cccc3nc2-1
InChI	InChI=1S/C20H15N3O6/c1-2-20(26)13-7-16-17-10(8-22(16)18(24)12(13)9-29-19(20)25)6-11-14(21-17)4-3-5-15(11)23(27)28/h3-7,26H,2,8-9H2,1H3/t20-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H15N3O6
Molecular Weight	393.36
AlogP	1.99
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	124.56
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	29.0

Mechanism of Action	Action	Reference
DNA topoisomerase I inhibitor	INHIBITOR	EMA

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	112-479	-	-	-

Target Conservation


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

Cross References

Resources	Reference
ChEBI	90225
ChEMBL	CHEMBL77305
DrugBank	DB06159
DrugCentral	2411
FDA SRS	H19C446XXB
PubChem	472335
SureChEMBL	SCHEMBL8640
ZINC	ZINC000003827362

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

RUBITECAN

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References