COTININE


Synonyms	Cotinine Nicotine related compound c
Status
Molecule Category	Free-form
UNII	K5161X06LL
EPA CompTox	DTXSID1047576


InChI Key	UIKROCXWUNQSPJ-VIFPVBQESA-N
Smiles	CN1C(=O)CC[C@H]1c1cccnc1
InChI	InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1

Property Name	Value
Molecular Formula	C10H12N2O
Molecular Weight	176.22
AlogP	1.37
Hydrogen Bond Acceptor	2.0
Number of Rotational Bond	1.0
Polar Surface Area	33.2
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	13.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	-0.23-28.65
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	103.03-106.54

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	103.03-106.54
Electrophorus electricus	-	-	-	-	28.65
Equus caballus	-	-	-	-

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	68641
ChEMBL	CHEMBL578211
DrugCentral	737
FDA SRS	K5161X06LL
PubChem	854019
SureChEMBL	SCHEMBL49060
ZINC	ZINC000000402766

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...

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Last update: Monday, 3 November 2025

COTININE

Structure

Physicochemical Descriptors

Pharmacology

Related Entries

Cross References