EcoDrugPlus


Synonyms	beta-carboline norharman norharmane
Molecule Category	Free-form
UNII	94HMA1I78O
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

beta-carboline

norharman

norharmane

Molecule Category

Free-form

UNII

94HMA1I78O

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	AIFRHYZBTHREPW-UHFFFAOYSA-N
Smiles	c1ccc2c(c1)[nH]c3cnccc23
InChI	InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H

InChI Key

AIFRHYZBTHREPW-UHFFFAOYSA-N

Smiles

c1ccc2c(c1)[nH]c3cnccc23

InChI

InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H

Property Name	Value
Molecular Formula	C11H8N2
Molecular Weight	168.19
AlogP	2.17
Hydrogen Bond Acceptor	1.0
Hydrogen Bond Donor	1.0
Polar Surface Area	28.68
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	13.0

Property Name

Value

Molecular Formula

C11H8N2

Molecular Weight

168.19

AlogP

2.17

Hydrogen Bond Acceptor

1.0

Hydrogen Bond Donor

1.0

Polar Surface Area

28.68

Molecular species

NEUTRAL

Aromatic Rings

3.0

Heavy Atoms

13.0

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	1621.81	-	-	-

EC50(nM)

IC50(nM)

Kd(nM)

Ki(nM)

Inhibition(%)

Homo sapiens

1621.81

Resources	Reference
ChEMBL	CHEMBL275224
FDA SRS	94HMA1I78O
PDB	NRH
PubChem	64961
SureChEMBL	SCHEMBL25834

Resources

Reference

ChEMBL

FDA SRS

PDB

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

NORHARMANE

Structure

Physicochemical Descriptors

Pharmacology

Cross References