MINAPRINE

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Synonyms
Status
Molecule Category Free-form
ATC N06AX07
UNII 00U7GX0NLM
EPA CompTox DTXSID5048477

Structure

InChI Key LDMWSLGGVTVJPG-UHFFFAOYSA-N
Smiles Cc1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChI
InChI=1S/C17H22N4O/c1-14-13-16(15-5-3-2-4-6-15)19-20-17(14)18-7-8-21-9-11-22-12-10-21/h2-6,13H,7-12H2,1H3,(H,18,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H22N4O
Molecular Weight 298.39
AlogP 2.2
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 50.28
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
Acetylcholinesterase inhibitor INHIBITOR PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Oxidoreductase
- - - - 12-18
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Trypanosoma cruzi
- - - - 12-18

Target Conservation

Protein: Muscarinic acetylcholine receptor M1
Description: Muscarinic acetylcholine receptor M1
Organism : Homo sapiens
P11229 ENSG00000168539
Protein: Monoamine oxidase A
Description: Amine oxidase [flavin-containing] A
Organism : Homo sapiens
P21397 ENSG00000189221
Protein: Acetylcholinesterase
Description: Acetylcholinesterase
Organism : Homo sapiens
P22303 ENSG00000087085
Protein: Serotonin 2 (5-HT2) receptor
Description: 5-hydroxytryptamine receptor 2A
Organism : Homo sapiens
P28223 ENSG00000102468
Protein: Serotonin 2 (5-HT2) receptor
Description: 5-hydroxytryptamine receptor 2C
Organism : Homo sapiens
P28335 ENSG00000147246
Protein: Serotonin 2 (5-HT2) receptor
Description: 5-hydroxytryptamine receptor 2B
Organism : Homo sapiens
P41595 ENSG00000135914

Cross References

Resources Reference
ChEBI 51038
ChEMBL CHEMBL278819
DrugBank DB00805
DrugCentral 1812
FDA SRS 00U7GX0NLM
Human Metabolome Database HMDB0014943
PharmGKB PA164748351
PubChem 4199
SureChEMBL SCHEMBL49371
ZINC ZINC000019796082
CONTENTS