EcoDrugPlus


Synonyms	Metacavir
Status
Molecule Category	Free-form
UNII	W5EOS3V193


InChI Key	FJAOCNGVPLTSLD-NKWVEPMBSA-N
Smiles	COc1nc(N)nc2c1ncn2[C@H]1CC[C@@H](CO)O1
InChI	InChI=1S/C11H15N5O3/c1-18-10-8-9(14-11(12)15-10)16(5-13-8)7-3-2-6(4-17)19-7/h5-7,17H,2-4H2,1H3,(H2,12,14,15)/t6-,7+/m0/s1

Property Name	Value
Molecular Formula	C11H15N5O3
Molecular Weight	265.27
AlogP	0.09
Hydrogen Bond Acceptor	8.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	3.0
Polar Surface Area	108.31
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	19.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mycobacterium avium	-	-	-	-	20-20
Mycobacterium bovis BCG	-	-	-	-	25-25
Mycobacterium tuberculosis	-	-	-	-	0

Resources	Reference
ChEMBL	CHEMBL243716
FDA SRS	W5EOS3V193
PubChem	10355487
SureChEMBL	SCHEMBL10280202
ZINC	ZINC000028710826

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

METACAVIR

Structure

Physicochemical Descriptors

Pharmacology

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