DIBENZEPIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: N06AA08
UNII: 510SJZ1Y6L

Structure
InChI Key QPGGEKPRGVJKQB-UHFFFAOYSA-N
Smile CN(C)CCN1C(=O)c2ccccc2N(C)c2ccccc21
InChI
InChI=1S/C18H21N3O/c1-19(2)12-13-21-17-11-7-6-10-16(17)20(3)15-9-5-4-8-14(15)18(21)22/h4-11H,12-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H21N3O
Molecular Weight 295.39
AlogP 2.98
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 26.79
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 22.0

Pharmacology

Action Mechanism of Action Reference
ANTAGONIST Histamine H1 receptor antagonist PubMed PubMed PubMed PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Dopamine receptor
- - - 30200 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Histamine receptor
- - - 20 -
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Serotonin receptor
- - - 12300 -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC06 neurotransmitter transporter family
- - - 10900 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 93394
ChEMBL CHEMBL1442422
DrugBank DB13225
DrugCentral 856
EPA CompTox DTXSID7022916
FDA SRS 510SJZ1Y6L
PubChem 9419
SureChEMBL SCHEMBL49286
ZINC ZINC000000001275
CONTENTS