EcoDrugPlus


Synonyms	5-hydroxy-l-tryptophan 5-hydroxytryptophan 5-hydroxytryptophan l-form 5-hydroxytryptophan, dl- Cincofarm Dl-5-htp Dl-5-hydroxytryptophan Dl-hydroxytryptophan Dl-oxitriptan Hydroxytryptophan L-5-htp L-5-hydroxytryptophan Levothym Levotinine Levotonine
Status
Molecule Category	Free-form
ATC	N06AX01
UNII	C1LJO185Q9
EPA CompTox	DTXSID1025437


InChI Key	LDCYZAJDBXYCGN-VIFPVBQESA-N
Smiles	N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)O
InChI	InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1

Property Name	Value
Molecular Formula	C11H12N2O3
Molecular Weight	220.23
AlogP	0.83
Hydrogen Bond Acceptor	3.0
Hydrogen Bond Donor	4.0
Number of Rotational Bond	3.0
Polar Surface Area	99.34
Molecular species	ZWITTERION
Aromatic Rings	2.0
Heavy Atoms	16.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Ion channel Ligand-gated ion channel 5HT3 receptor	-	-	-	158.49	-
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor	0.18-130	-	-	0.91-2.12	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	0.18-130	-	-	0.91-2.12	-

Resources	Reference
ChEBI	58266
ChEMBL	CHEMBL350221
DrugBank	DB02959
DrugCentral	4006
FDA SRS	C1LJO185Q9
Human Metabolome Database	HMDB0000472
Guide to Pharmacology	4671
KEGG	C00643
PDB	4PQ
PubChem	439280
SureChEMBL	SCHEMBL43243
ZINC	ZINC000000895330

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

OXITRIPTAN

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