| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 22 | Yes |
Popular Name: CYPROHEPTADINE HYDROCHLORIDE CYPROHEPTADINE HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 129-03-3 , 3/3/129 , 41354-29-4 , 6032-06-0 , 969-33-5 , [969-33-5]
1-Methyl-4-(5-dibenzo(a,e)cycloheptatrienylidene)piperidine
1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)piperidine
1-Methyl-4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-Piperidine hydrochloride monohydrate
129-03-3; C06935; Cyproheptadine
129-03-3; Ciprovit (TN); Cyproheptadine (INN); D07765
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
4-Dibenzo[a,d]cyclohepten-5-ylidene-1-methyl-piperidine
41354-29-4; Cyproheptadine hydrochloride (JP16/USP); D02234; Periactin (TN)
5-(1-Methylpiperidylidene-4)-5H-dibenzo(a,d)cyclopheptene
5-20-08-00500 (Beilstein Handbook Reference)
969-33-5; Cyproheptadine hydrochloride; Prestwick_139
ciproheptadina; cyproheptadine; cyproheptadinum
CPD000058431; CYPROHEPTADINE HYDROCHLORIDE; SAM001246883
CPD000058431; Cyproheptadine; SAM001246883
Cyproheptadine (hydrochloride)
cyproheptadine hydrochloride (anhydrous)
Cyproheptadine hydrochloride (Periactin)
cyproheptadine hydrochloride sesquihydrate
Dibenzosuberonone/Cyproheptadine
INN); Cyproheptadine Hydrochloride (FDA
Piperidine, 4-(5H-dibenzo(a,d)cyclohepten-5-ylidene)-1-methyl-
Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 5.07 | 12.93 | -39.97 | 1 | 1 | 1 | 4 | 288.414 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | . | ZereneX Building Blocks |
| ALOGPS_SOLUBILITY | 1.36e-02 g/l | DrugBank-approved |
| Therapy | 5-HT2 serotonin receptor antagonist | SMDC Iconix |
| biological_use | Antihistaminic and antiserotonergic agent | IBScreen Bioactives |
| mechanism | Cyproheptadine competes with free histamine for binding at HA-receptor sites. | IBScreen Bioactives |
| therap | H1-antihistamine, antipruritic | MicroSource Spectrum |
| Target | Histamine Receptor | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sigma Chemical Company; NCC_SUPPLIER_STRUCTURE_ID : C6022; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| UniProt Database Links | OAR_DROME | ChEBI |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sigma Chemical Company; SUPPLIER_STRUCTURE_ID: C6022; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| mechanism | This antagonizes the effects of histamine on HA-receptors, leading to a reduction of the negative symptoms brought on by histamine HA-receptor binding | IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| 5HT2A-1-E | Serotonin 2a (5-HT2a) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 3 | 0.54 | Binding ≤ 10μM |
| 5HT2B-1-E | Serotonin 2b (5-HT2b) Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 3 | 0.54 | Binding ≤ 10μM |
| 5HT2C-1-E | Serotonin 2c (5-HT2c) Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 11 | 0.51 | Binding ≤ 10μM |
| DRD1-1-E | Dopamine D1 Receptor (cluster #1 Of 4), Eukaryotic | Eukaryotes | 63 | 0.46 | Binding ≤ 10μM |
| DRD3-1-E | Dopamine D3 Receptor (cluster #1 Of 2), Eukaryotic | Eukaryotes | 63 | 0.46 | Binding ≤ 10μM |
| DRD4-3-E | Dopamine D4 Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 63 | 0.46 | Binding ≤ 10μM |
| DRD5-1-E | Dopamine D5 Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 63 | 0.46 | Binding ≤ 10μM |
| HRH1-2-E | Histamine H1 Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5400 | 0.34 | Binding ≤ 10μM |
| SC6A2-1-E | Norepinephrine Transporter (cluster #1 Of 2), Eukaryotic | Eukaryotes | 290 | 0.42 | Binding ≤ 10μM |
| SC6A4-3-E | Serotonin Transporter (cluster #3 Of 4), Eukaryotic | Eukaryotes | 4100 | 0.34 | Binding ≤ 10μM |
| SCN1A-1-E | Sodium Channel Protein Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| SCN2A-1-E | Sodium Channel Protein Type II Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| SCN3A-1-E | Sodium Channel Protein Type III Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| SCN8A-1-E | Sodium Channel Protein Type VIII Alpha Subunit (cluster #1 Of 2), Eukaryotic | Eukaryotes | 1000 | 0.38 | Binding ≤ 10μM |
| DRD2-15-E | Dopamine D2 Receptor (cluster #15 Of 24), Eukaryotic | Eukaryotes | 63 | 0.46 | Binding ≤ 10μM |
| Z104303-1-O | Muscarinic Acetylcholine Receptor (cluster #1 Of 7), Other | Other | 4 | 0.53 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 7943 | 0.32 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 63 | 0.46 | Binding ≤ 1μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 140 | 0.44 | Binding ≤ 1μM |
| DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 112 | 0.44 | Binding ≤ 1μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 112 | 0.44 | Binding ≤ 1μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 63 | 0.46 | Binding ≤ 1μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 63 | 0.46 | Binding ≤ 1μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 63 | 0.46 | Binding ≤ 1μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 4 | 0.53 | Binding ≤ 1μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 290 | 0.42 | Binding ≤ 1μM |
| SC6A2_MOUSE | O55192 | Norepinephrine Transporter, Mouse | 290 | 0.42 | Binding ≤ 1μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 1.6 | 0.56 | Binding ≤ 1μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 1.6 | 0.56 | Binding ≤ 1μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 3.1 | 0.54 | Binding ≤ 1μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 11 | 0.51 | Binding ≤ 1μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 3.1 | 0.54 | Binding ≤ 1μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 11 | 0.51 | Binding ≤ 1μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 1μM |
| DRD1_RAT | P18901 | Dopamine D1 Receptor, Rat | 63 | 0.46 | Binding ≤ 10μM |
| DRD2_RAT | P61169 | Dopamine D2 Receptor, Rat | 140 | 0.44 | Binding ≤ 10μM |
| DRD2_MOUSE | P61168 | Dopamine D2 Receptor, Mouse | 112 | 0.44 | Binding ≤ 10μM |
| DRD2_HUMAN | P14416 | Dopamine D2 Receptor, Human | 112 | 0.44 | Binding ≤ 10μM |
| DRD3_RAT | P19020 | Dopamine D3 Receptor, Rat | 63 | 0.46 | Binding ≤ 10μM |
| DRD4_RAT | P30729 | Dopamine D4 Receptor, Rat | 63 | 0.46 | Binding ≤ 10μM |
| DRD5_RAT | P25115 | Dopamine D5 Receptor, Rat | 63 | 0.46 | Binding ≤ 10μM |
| HRH1_HUMAN | P35367 | Histamine H1 Receptor, Human | 5400 | 0.34 | Binding ≤ 10μM |
| Z104303 | Z104303 | Muscarinic Acetylcholine Receptor | 4 | 0.53 | Binding ≤ 10μM |
| SC6A2_HUMAN | P23975 | Norepinephrine Transporter, Human | 290 | 0.42 | Binding ≤ 10μM |
| SC6A2_MOUSE | O55192 | Norepinephrine Transporter, Mouse | 290 | 0.42 | Binding ≤ 10μM |
| 5HT2A_HUMAN | P28223 | Serotonin 2a (5-HT2a) Receptor, Human | 1.6 | 0.56 | Binding ≤ 10μM |
| 5HT2A_RAT | P14842 | Serotonin 2a (5-HT2a) Receptor, Rat | 1.6 | 0.56 | Binding ≤ 10μM |
| 5HT2B_RAT | P30994 | Serotonin 2b (5-HT2b) Receptor, Rat | 3.1 | 0.54 | Binding ≤ 10μM |
| 5HT2C_MOUSE | P34968 | Serotonin 2c (5-HT2c) Receptor, Mouse | 11 | 0.51 | Binding ≤ 10μM |
| 5HT2C_RAT | P08909 | Serotonin 2c (5-HT2c) Receptor, Rat | 3.1 | 0.54 | Binding ≤ 10μM |
| 5HT2C_HUMAN | P28335 | Serotonin 2c (5-HT2c) Receptor, Human | 11 | 0.51 | Binding ≤ 10μM |
| SC6A4_MOUSE | Q60857 | Serotonin Transporter, Mouse | 4100 | 0.34 | Binding ≤ 10μM |
| SC6A4_HUMAN | P31645 | Serotonin Transporter, Human | 4100 | 0.34 | Binding ≤ 10μM |
| SCN1A_HUMAN | P35498 | Sodium Channel Protein Type I Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| SCN2A_HUMAN | Q99250 | Sodium Channel Protein Type II Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| SCN3A_HUMAN | Q9NY46 | Sodium Channel Protein Type III Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| SCN8A_HUMAN | Q9UQD0 | Sodium Channel Protein Type VIII Alpha Subunit, Human | 1000 | 0.38 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3162.27766 | 0.35 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Dopamine receptors | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Histamine receptors | |
| Interaction between L1 and Ankyrins | |
| Na+/Cl- dependent neurotransmitter transporters | |
| Serotonin receptors |
