EcoDrugPlus


Synonyms	AR-01 AR01 Aezodent Americaine Anaesthesin Anthisan plus Baby anbesol Benzocaine Benzocainum Burneze Children's chloraseptic Dequacaine Ethyl aminobenzoate Ethyl p-aminobenzoate Ethyl paba
Status
Molecule Category	Free-form
ATC	C05AD03 D04AB04 N01BA05 R02AD01
UNII	U3RSY48JW5
EPA CompTox	DTXSID8021804


InChI Key	BLFLLBZGZJTVJG-UHFFFAOYSA-N
Smiles	CCOC(=O)c1ccc(N)cc1
InChI	InChI=1S/C9H11NO2/c1-2-12-9(11)7-3-5-8(10)6-4-7/h3-6H,2,10H2,1H3

Property Name	Value
Molecular Formula	C9H11NO2
Molecular Weight	165.19
AlogP	1.45
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	2.0
Polar Surface Area	52.32
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	12.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Voltage-gated ion channel Voltage-gated sodium channel	-	-	-	-	0-5.1
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	100.62-129.5

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cavia porcellus	-	-	-	-	0-5.1
Cricetulus griseus	-	-	-	-	100.62-129.5

Resources	Reference
ChEBI	116735
ChEMBL	CHEMBL278172
DrugBank	DB01086
DrugCentral	323
FDA SRS	U3RSY48JW5
Human Metabolome Database	HMDB0004992
KEGG	C07527
PharmGKB	PA448576
PubChem	2337
SureChEMBL	SCHEMBL25100
ZINC	ZINC000012358719

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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