General Information of the Compound
Compound ID
CP0050763
Compound Name
1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine
    Show/Hide
Synonyms
1-Methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine
1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine
4-(5-Dibenzo(a,d)cyclohepten-5-ylidine)-1-methylpiperidine
4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidene
4-(5H-Dibenzo(a,d)cyclohepten-5-ylidene)-1-methylpiperidine
4-(5H-Dibenzo[a,d]cyclohepten-5-ylidene)-1-methylpiperidine
4-(5H-dibenzo[a,d][7]annulen-5-ylidene)-1-methylpiperidine
5-(1-Methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene
Ciproheptadina
Ciproheptadina [INN-Spanish]
Ciprovit
Ciprovit (TN)
Cypoheptadine
Cyproheptadiene
Cyproheptadine
Cyproheptadine (INN)
Cyproheptadine Hcl
Cyproheptadine [INN:BAN]
Cyproheptadinum
Cyproheptadinum [INN-Latin]
Dibenzosuberonone/Cyproheptadine
Dihexazin
Dronactin
Eiproheptadine
MK 141
Periactin
Periactin (TN)
Periactine
Periactinol
Viternum
    Show/Hide
Structure
Formula
C21H21N
Molecular Weight
287.406
Canonical SMILES
CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12
    Show/Hide
InChI
InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3
    Show/Hide
InChIKey
JJCFRYNCJDLXIK-UHFFFAOYSA-N
CAS
129-03-3
Physicochemical Property
logP
4.6979
Rotatable Bonds
0
Heavy Atom Count
22
Polar Areas
3.24
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Complexity
22

"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: 2913
SID: 14751189
ChEMBL ID
CHEMBL516
DrugBank ID
DB00434
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
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 1.6 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM
Protein ID: PT05193, 5-hydroxytryptamine receptor 2C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 11 nM
   TI
   LI
   LO
   TS
Protein ID: PT00867, D(2) dopamine receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 112 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 26121.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT01607, Sodium-dependent noradrenaline transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 290 nM
   TI
   LI
   LO
   TS
Protein ID: PT01609, Sodium-dependent serotonin transporter
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000035 NIH 3T3 Mus musculus (Mouse)  1
1
Ki = 4100 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Cyproheptadine )
Drug Name Cyproheptadine
Company Merck & Co
Indication
Rhinitis
Approved
Target(s)
Histamine H1 receptor (H1R)
Antagonist