General Information of the Compound
Compound ID
CP0412415
Compound Name
7,8,9,10-tetrahydro-6H-furo[2,3-i][3]benzazepine
    Show/Hide
Synonyms
7,8,9,10-tetrahydro-6H-furo-[3,2-g][3]benzazepine
CHEMBL261489
    Show/Hide
Structure
Formula
C12H13NO
Molecular Weight
187.242
Canonical SMILES
C1Cc2ccc3occc3c2CCN1
    Show/Hide
InChI
InChI=1S/C12H13NO/c1-2-12-11(5-8-14-12)10-4-7-13-6-3-9(1)10/h1-2,5,8,13H,3-4,6-7H2
    Show/Hide
InChIKey
BGHAWUGGSCZWBN-UHFFFAOYSA-N
Physicochemical Property
logP
2.121
Rotatable Bonds
0
Heavy Atom Count
14
Polar Areas
25.17
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
14

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 44451369
ChEMBL ID
CHEMBL261489
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00825, 5-hydroxytryptamine receptor 2A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 46 nM
   TI
   LI
   LO
   TS
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000065 HEK293-EBNA Homo sapiens (Human)  1
1
Ki = 90 nM
   TI
   LI
   LO
   TS
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 20 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 7,8,9,10-tetrahydro-6H-furo-[3,2-g][3]benzazepine )
Drug Name 7,8,9,10-tetrahydro-6H-furo-[3,2-g][3]benzazepine
Target(s)
5-HT 2C receptor (HTR2C)
Inhibitor
5-HT 2A receptor (HTR2A)
Inhibitor
5-HT 2B receptor (HTR2B)
Inhibitor