EcoDrugPlus


Synonyms	2-Phenylindole
Molecule Category	Free-form
UNII	MQD44HV3P1
EPA CompTox	DTXSID8061343
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

2-Phenylindole

Molecule Category

Free-form

UNII

MQD44HV3P1

EPA CompTox

DTXSID8061343

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	KLLLJCACIRKBDT-UHFFFAOYSA-N
Smiles	c1ccc(cc1)c2cc3ccccc3[nH]2
InChI	InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H

InChI Key

KLLLJCACIRKBDT-UHFFFAOYSA-N

Smiles

c1ccc(cc1)c2cc3ccccc3[nH]2

InChI

InChI=1S/C14H11N/c1-2-6-11(7-3-1)14-10-12-8-4-5-9-13(12)15-14/h1-10,15H

Property Name	Value
Molecular Formula	C14H11N
Molecular Weight	193.24
AlogP	3.93
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	15.79
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	15.0

Property Name

Value

Molecular Formula

C14H11N

Molecular Weight

193.24

AlogP

3.93

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

15.79

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

15.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Fusarium culmorum	-	-	-	-	7.5-69.2
Macrophomina phaseolina	-	-	-	-	-39-54.3
Pythium debaryanum	-	-	-	-	-22-19.3
Rhizoctonia solani	-	-	-	-	-151-0

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Fusarium culmorum

7.5-69.2

Macrophomina phaseolina

-39-54.3

Pythium debaryanum

-22-19.3

Rhizoctonia solani

-151-0

Resources	Reference
CAS NUMBER	948-65-2
ChEMBL	CHEMBL75756
FDA SRS	MQD44HV3P1
PubChem	13698
SureChEMBL	SCHEMBL341378

Resources

Reference

CAS NUMBER

ChEMBL

FDA SRS

PubChem

SureChEMBL

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, Volume 54, Issue D1, 6 January 2026, Pages D1397–D1404, https://doi.org/10.1093/nar/gkaf1251

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 23^rd March 2026

2-PHENYL-1H-INDOLE

Structure

Physicochemical Descriptors

Pharmacology

Cross References