EcoDrugPlus


Synonyms	Advastab 45 Benzophenone-3 NSC-7778 Ongrostab hmb Oxybenzone Tinosorb b 3 Uvinul 40 Uvinul m40 Viosorb 110
Status
Molecule Category	Free-form
UNII	95OOS7VE0Y
EPA CompTox	DTXSID3022405


InChI Key	DXGLGDHPHMLXJC-UHFFFAOYSA-N
Smiles	COc1ccc(C(=O)c2ccccc2)c(O)c1
InChI	InChI=1S/C14H12O3/c1-17-11-7-8-12(13(15)9-11)14(16)10-5-3-2-4-6-10/h2-9,15H,1H3

Property Name	Value
Molecular Formula	C14H12O3
Molecular Weight	228.25
AlogP	2.63
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	3.0
Polar Surface Area	46.53
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	17.0

Mechanism of Action	Action	Reference
Sunscreen	None	DailyMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	44
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	128.38-225.44

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	128.38-225.44
Rattus norvegicus	-	-	-	-	44

Resources	Reference
ChEBI	34283
ChEMBL	CHEMBL1625
DrugBank	DB01428
DrugCentral	3412
FDA SRS	95OOS7VE0Y
Human Metabolome Database	HMDB0015497
KEGG	C14285
PharmGKB	PA164742933
PubChem	4632
SureChEMBL	SCHEMBL15551
ZINC	ZINC000000136138

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

OXYBENZONE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References