HYOSCYAMINE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: A03BA03
UNII: PX44XO846X

Structure
InChI Key RKUNBYITZUJHSG-FXUDXRNXSA-N
Smile 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

Physicochemical Descriptors

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

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 16
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 102

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 101-31-5
ChEBI 17486
ChEMBL CHEMBL1331216
DrugBank DB00424
DrugCentral 1402
EPA CompTox DTXSID80889335
FDA SRS PX44XO846X
Human Metabolome Database HMDB0014568
KEGG C02046
PDB HYO
SureChEMBL SCHEMBL41316
ZINC ZINC000100009280
CONTENTS