HYOSCYAMINE


Synonyms	(-)-atropine (-)-hyoscyamine (s)-(-)-hyoscyamine Atropine, (s)- Bellafoline Cystospaz Daturine Duboisine Hyoscyamine Hyoscyaminum L-hyoscyamine NSC-757064
Status
Molecule Category	Free-form
ATC	A03BA03
UNII	PX44XO846X
EPA CompTox	DTXSID80889335


InChI Key	RKUNBYITZUJHSG-FXUDXRNXSA-N
Smiles	CN1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2
InChI	InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15+,16-/m1/s1

Property Name	Value
Molecular Formula	C17H23NO3
Molecular Weight	289.37
AlogP	1.93
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	4.0
Polar Surface Area	49.77
Molecular species	BASE
Aromatic Rings	1.0
Heavy Atoms	21.0

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Enzyme Hydrolase	-	-	-	-	3.5-15.53
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	-	-	-	97.76-102.17

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Cricetulus griseus	-	-	-	-	97.76-102.17
Electrophorus electricus	-	-	-	-	15.53
Equus caballus	-	-	-	-	3.5

Header

Compound Name

Maximum Phase

Compound Structure

Smile

Inchi

InchiKey

Compound Properties

Molecular Formula

Molecular Weight

ALogP

PSA

Resources	Reference
ChEBI	17486
ChEMBL	CHEMBL1331216
DrugBank	DB00424
DrugCentral	1402
FDA SRS	PX44XO846X
Human Metabolome Database	HMDB0014568
KEGG	C02046
PDB	HYO
SureChEMBL	SCHEMBL41316
ZINC	ZINC000100009280

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

HYOSCYAMINE

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Physicochemical Descriptors

Pharmacology

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