METHAPYRILENE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: R06AC05
UNII: A01LX40298

Structure
InChI Key HNJJXZKZRAWDPF-UHFFFAOYSA-N
Smile CN(C)CCN(Cc1cccs1)c1ccccn1
InChI
InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H19N3S
Molecular Weight 261.39
AlogP 2.71
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 6.0
Polar Surface Area 19.37
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 18.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Cytochrome P450 Cytochrome P450 family 2 Cytochrome P450 family 2D Cytochrome P450 2D6
- 2756.4 - - -
Enzyme Hydrolase
- - - -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 11.5
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Acetylcholine receptor
- 1665 - 1150 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- 1165 - 1515 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- 16 - 1.802 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- 3091 - 1435 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- 1391 - 106 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 6820
ChEMBL CHEMBL1411979
DrugBank DB04819
DrugCentral 1738
EPA CompTox DTXSID2023278
FDA SRS A01LX40298
KEGG C11114
PubChem 4098
SureChEMBL SCHEMBL19209
ZINC ZINC000002510048
CONTENTS