AMINOBENZOIC ACID

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Search structure


Synonyms	4-Aminobenzoic Acid 4-aminobenzoate Aminobenzoic Acid Aminobenzoic acid Benzoic acid, 4-amino NSC-7627 P-aminobenzoic acid Paba Para-aminobenzoic acid Rvpaba lipstick
Status
Molecule Category	Free-form
ATC	D02BA01
UNII	TL2TJE8QTX
EPA CompTox	DTXSID6024466

Structure


InChI Key	ALYNCZNDIQEVRV-UHFFFAOYSA-N
Smiles	Nc1ccc(C(=O)O)cc1
InChI	InChI=1S/C7H7NO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4H,8H2,(H,9,10)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C7H7NO2
Molecular Weight	137.14
AlogP	0.97
Hydrogen Bond Acceptor	2.0
Hydrogen Bond Donor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	63.32
Molecular species	ACID
Aromatic Rings	1.0
Heavy Atoms	10.0

Pharmacology

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	35.2	-	-	0
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	85.02-88.18

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	85.02-88.18
Rattus norvegicus	-	35.2	-	-	-
Staphylococcus aureus	-	-	-	-	8.6
unidentified influenza virus	-	-	-	-	0

Cross References

Resources	Reference
ChEBI	30753
ChEMBL	CHEMBL542
DrugBank	DB02362
DrugCentral	2049
FDA SRS	TL2TJE8QTX
Human Metabolome Database	HMDB0001392
KEGG	C00568
PDB	PAB
SureChEMBL	SCHEMBL8249
ZINC	ZINC000000000920

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