EcoDrugPlus


Synonyms	Carnitine Carnitine chloride Carnitine dl-form NSC-757390 NSC-759132
Status
Molecule Category	Free-form
UNII	S7UI8SM58A
EPA CompTox	DTXSID3022744


InChI Key	PHIQHXFUZVPYII-UHFFFAOYSA-N
Smiles	C[N+](C)(C)CC(O)CC(=O)[O-]
InChI	InChI=1S/C7H15NO3/c1-8(2,3)5-6(9)4-7(10)11/h6,9H,4-5H2,1-3H3

Property Name	Value
Molecular Formula	C7H15NO3
Molecular Weight	161.2
AlogP	-1.81
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	60.36
Molecular species	ACID
Aromatic Rings	0.0
Heavy Atoms	11.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	-9.3-36.6

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	-	-	-	-	-9.3-36.6

Resources	Reference
ChEBI	17126
ChEMBL	CHEMBL172513
FDA SRS	S7UI8SM58A
PubChem	288
SureChEMBL	SCHEMBL21971

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

CARNITINE

Structure

Physicochemical Descriptors

Pharmacology

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