EcoDrugPlus


Synonyms	9-amino-20(s)-camptothecin 9-aminocamptothecin Aminocamptothecin NSC-603071
Status
Molecule Category	Free-form
UNII	5MB77ICE2Q
EPA CompTox	DTXSID10873202


InChI Key	FUXVKZWTXQUGMW-FQEVSTJZSA-N
Smiles	CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3c(N)cccc3nc2-1
InChI	InChI=1S/C20H17N3O4/c1-2-20(26)13-7-16-17-10(6-11-14(21)4-3-5-15(11)22-17)8-23(16)18(24)12(13)9-27-19(20)25/h3-7,26H,2,8-9,21H2,1H3/t20-/m0/s1

Property Name	Value
Molecular Formula	C20H17N3O4
Molecular Weight	363.37
AlogP	1.66
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	107.44
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	27.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Isomerase	-	110	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	3.5-90	-	-	-
Mus musculus	-	1-12.7	-	-	-

Resources	Reference
ChEBI	80755
ChEMBL	CHEMBL274070
DrugBank	DB12515
FDA SRS	5MB77ICE2Q
KEGG	C16822
PubChem	72402
SureChEMBL	SCHEMBL26578
ZINC	ZINC000037866089

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

9-AMINOCAMPTOTHECIN

Structure

Physicochemical Descriptors

Pharmacology

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