ANISODAMINE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 01343Q8EL8

Structure
InChI Key WTQYWNWRJNXDEG-RBZJEDDUSA-N
Smile CN1[C@H]2C[C@H](OC(=O)[C@H](CO)c3ccccc3)C[C@@H]1[C@@H](O)C2
InChI
InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H23NO4
Molecular Weight 305.37
AlogP 0.9
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 70.0
Molecular species BASE
Aromatic Rings 1.0
Heavy Atoms 22.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- - - - 8

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Intestinal Diseases 3 D007410 ClinicalTrials
Shock, Septic 1 D012772 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 55869-99-3
ChEMBL CHEMBL2165224
DrugBank DB11785
FDA SRS 01343Q8EL8
PubChem 6918612
ZINC ZINC000003197739
CONTENTS