EcoDrugPlus


Synonyms	(+/-)BN-1270 BN-1270 Cicletanine Cycletanide WIN 90,000 WIN-90000
Status
Molecule Category	Free-form
ATC	C03BX03
UNII	CHG7QC509W

Synonyms

(+/-)BN-1270

BN-1270

Cicletanine

Cycletanide

WIN 90,000

WIN-90000

Status

Molecule Category

Free-form

ATC

C03BX03

UNII

CHG7QC509W


InChI Key	CVKNDPRBJVBDSS-UHFFFAOYSA-N
Smiles	Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1
InChI	InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3

InChI Key

CVKNDPRBJVBDSS-UHFFFAOYSA-N

Smiles

Cc1ncc2c(c1O)COC2c1ccc(Cl)cc1

InChI

InChI=1S/C14H12ClNO2/c1-8-13(17)12-7-18-14(11(12)6-16-8)9-2-4-10(15)5-3-9/h2-6,14,17H,7H2,1H3

Property Name	Value
Molecular Formula	C14H12ClNO2
Molecular Weight	261.71
AlogP	3.37
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	1.0
Polar Surface Area	42.35
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	18.0

Property Name

Value

Molecular Formula

C14H12ClNO2

Molecular Weight

261.71

AlogP

3.37

Hydrogen Bond Acceptor

3.0

Hydrogen Bond Donor

1.0

Number of Rotational Bond

1.0

Polar Surface Area

42.35

Molecular species

NEUTRAL

Aromatic Rings

2.0

Heavy Atoms

18.0

Resources	Reference
ChEBI	135078
ChEMBL	CHEMBL191886
DrugBank	DB12766
DrugCentral	634
FDA SRS	CHG7QC509W
PubChem	54910
SureChEMBL	SCHEMBL49794

Resources

Reference

ChEBI

ChEMBL

DrugBank

DrugCentral

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, 2025, gkaf1251 Read...

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

Last update: Monday, 3 November 2025

CICLETANINE

Structure

Physicochemical Descriptors

Cross References