EcoDrugPlus


Synonyms	Proflavine
Status
Molecule Category	Free-form
UNII	CY3RNB3K4T
EPA CompTox	DTXSID9043776


InChI Key	WDVSHHCDHLJJJR-UHFFFAOYSA-N
Smiles	Nc1ccc2cc3ccc(N)cc3nc2c1
InChI	InChI=1S/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2

Property Name	Value
Molecular Formula	C13H11N3
Molecular Weight	209.25
AlogP	2.55
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	2.0
Polar Surface Area	64.93
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	16.0

Mechanism of Action	Action	Reference
DNA disrupting agent	DISRUPTING AGENT	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Transferase	-	-	-	-	90-95

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	520	-	-	-
Euplotes aediculatus	-	-	-	-	52
Homo sapiens	-	470-470	-	-	90-95
Leishmania infantum	-	120	-	-	-
Tetrahymena thermophila	-	-	-	-	90-90

Resources	Reference
ChEBI	8452
ChEMBL	CHEMBL55400
DrugBank	DB01123
DrugCentral	2277
FDA SRS	CY3RNB3K4T
Human Metabolome Database	HMDB0015255
KEGG	C11181
PDB	PRL
PharmGKB	PA164748742
PubChem	7099
SureChEMBL	SCHEMBL27386
ZINC	ZINC000003775644

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

PROFLAVINE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References