EcoDrugPlus


Synonyms	Idamycin Idarubicin
Status
Molecule Category	Free-form
ATC	L01DB06
UNII	ZRP63D75JW
EPA CompTox	DTXSID7023142


InChI Key	XDXDZDZNSLXDNA-TZNDIEGXSA-N
Smiles	CC(=O)[C@]1(O)Cc2c(O)c3c(c(O)c2[C@@H](O[C@H]2C[C@H](N)[C@H](O)[C@H](C)O2)C1)C(=O)c1ccccc1C3=O
InChI	InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1

Property Name	Value
Molecular Formula	C26H27NO9
Molecular Weight	497.5
AlogP	1.02
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	5.0
Number of Rotational Bond	3.0
Polar Surface Area	176.61
Molecular species	BASE
Aromatic Rings	2.0
Heavy Atoms	36.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enterobacteria phage lambda	-	890	-	-	-
Homo sapiens	-	12	-	-	100
Plasmodium falciparum	-	0.71-630.96	-	-	100
Plasmodium falciparum 7G8	-	1.05	-	-	-
Plasmodium falciparum D10	-	1.26	-	-	-
Plasmodium falciparum HB3	-	1.17	-	-	-

Resources	Reference
ChEBI	42068
ChEMBL	CHEMBL1117
DrugBank	DB01177
DrugCentral	1414
FDA SRS	ZRP63D75JW
Human Metabolome Database	HMDB0015308
Guide to Pharmacology	7083
PDB	DM5
PharmGKB	PA449961
PubChem	42890
SureChEMBL	SCHEMBL3750
ZINC	ZINC000003920266

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

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