ETHAMBUTOL

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Search structure


Synonyms	Ethambutol
Status
Molecule Category	Free-form
ATC	J04AK02
UNII	8G167061QZ
EPA CompTox	DTXSID8023006

Structure


InChI Key	AEUTYOVWOVBAKS-UWVGGRQHSA-N
Smiles	CC[C@@H](CO)NCCN[C@@H](CC)CO
InChI	InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C10H24N2O2
Molecular Weight	204.31
AlogP	-0.29
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	9.0
Polar Surface Area	64.52
Molecular species	BASE
Aromatic Rings	0.0
Heavy Atoms	14.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Ligase	-	-	-	-	0
Enzyme	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Mycobacterium tuberculosis	-	-	-	-	0-90
Mycobacterium tuberculosis H37Rv	-	-	-	-	69.1-99
Rattus norvegicus	-	-	-	-

Cross References

Resources	Reference
ChEBI	4877
ChEMBL	CHEMBL44884
DrugBank	DB00330
DrugCentral	1073
FDA SRS	8G167061QZ
Human Metabolome Database	HMDB0014474
KEGG	C06984
PDB	95E
PubChem	14052
SureChEMBL	SCHEMBL3399
ZINC	ZINC000019364219

CONTENTS

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...

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Last update: Monday, 3 November 2025