EcoDrugPlus


Synonyms	1,10-Phenanthroline
Molecule Category	Free-form
UNII	W4X6ZO7939
Source	Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...

Synonyms

1,10-Phenanthroline

Molecule Category

Free-form

UNII

Source

Gaulton A, Kale N, van Westen GJ, Bellis LJ, Bento AP, Davies M, Hersey A, Papadatos G, Forster M, Wege P, Overington JP. A large-scale crop protection bioassay data set. Sci Data. 2015 Jul 7;2:150032. Read more ...


InChI Key	DGEZNRSVGBDHLK-UHFFFAOYSA-N
Smiles	c1cnc2c(c1)ccc3cccnc23
InChI	InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

InChI Key

DGEZNRSVGBDHLK-UHFFFAOYSA-N

Smiles

c1cnc2c(c1)ccc3cccnc23

InChI

InChI=1S/C12H8N2/c1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1/h1-8H

Property Name	Value
Molecular Formula	C12H8N2
Molecular Weight	180.21
AlogP	2.2
Hydrogen Bond Acceptor	2.0
Polar Surface Area	25.78
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	14.0

Property Name

Value

Molecular Formula

C12H8N2

Molecular Weight

180.21

AlogP

2.2

Hydrogen Bond Acceptor

2.0

Polar Surface Area

25.78

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

14.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Bacillus thermoproteolyticus	-	360000	-	-	-
Bos taurus	-	422000	-	-	-
Clostridium histolyticum	-	185000	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Bacillus thermoproteolyticus

360000

Bos taurus

422000

Clostridium histolyticum

185000

Resources	Reference
ChEMBL	CHEMBL415879
FDA SRS	W4X6ZO7939
PDB	PHN
PubChem	1318
SureChEMBL	SCHEMBL8312
ZINC	ZINC00164363

Resources

Reference

ChEMBL

FDA SRS

PDB

PubChem

SureChEMBL

ZINC

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

PHENANTHROLINE

Structure

Physicochemical Descriptors

Pharmacology

Cross References