| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 22 | Yes |
Popular Name: DICYCLOMINE HYDROCHLORIDE DICYCLOMINE HYDROCHLORIDE
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 67-92-5 , 67-92-5, 77-19-0 [dicyclo , 67-92-5, 77-19-0 [dicyclomine] , 77-19-0
(1,1'-Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester
(Bicyclohexyl)-1-carboxylic acid, 2-(diethylamino)ethyl ester
(BICYCLOHEXYL)-1-CARBOXYLIC ACID, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDE
.beta.-Diethylaminoethyl 1-cyclohexylcyclohexanecarboxylate hydrochloride
.beta.-Diethylaminoethyl-1-cyclohexylhexahydrobenzoate hydrochloride
1-Cyclohexylcyclohexanecarboxylic acid 2-(diethylamino)ethyl ester
2-(diethylamino)ethyl 1,1'-bi(cyclohexyl)-1-carboxylate
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate
2-(diethylamino)ethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride
2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate
2-diethylaminoethyl 1-cyclohexylcyclohexane-1-carboxylate hydrochloride
67-92-5; Dicyclomine hydrochloride; Prestwick_891
77-19-0; C06951; Dicyclomine; Dicycloverin
77-19-0; D07820; Dicyclomine; Dicycloverine (INN); Dicymine (TN)
Bentyl; CPD000058440; Dicyclomine hydrochloride; SAM002554894
Bentyl; CPD000058440; SAM002554894
Bicyclohexyl-1-carbonsaeure-2'diethylaminoethylester
Cyclohexanecarboxylic acid, 1-cyclohexyl-, 2-(diethylamino)ethyl ester
dicicloverina; dicycloverine; dicycloverinum
Dicyclomine (BAN); Dicyclomine Hydrochloride (FDA
Dicyclomine (BAN); Dicycloverine (INN); Dicyclomine HCl (FDA
Diethylaminocarbethoxybicyclohexyl Hydrochloride
InChI=1/C19H35NO2/c1-3-20(4-2)15-16-22-18(21)19(13-9-6-10-14-19)17-11-7-5-8-12-17/h17H,3-16H2,1-2H3
USP); Dicycloverine (INN); Dicycloverine Hydrochloride (JAN)
WLN: L6TJ A- AL6TJ AVO2N2&2 &GH
[1,1'-Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester
[Bicyclohexyl]-1-carboxylic acid, 2- (diethylamino)ethyl ester hydrochloride
[Bicyclohexyl]-1-carboxylic acid, 2-(diethylamino)ethyl ester hydrochloride
| 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) | 5.23 | 12.37 | -33.87 | 1 | 3 | 1 | 31 | 310.502 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 4.779 | Bitter DB |
| ALOGPS_SOLUBILITY | 3.27e-03 g/l | DrugBank-approved |
| Therapy | anticholinergic | SMDC Iconix |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : D-2320; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER, FAINT YELLOW CAST; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: D-2320; SALT: 1 hydrogen chloride; SUPPLIER_COMMENTS: WHITE POWDER, FAINT YELLOW CAST | NIH Clinical Collection via PubChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1-4-E | Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic | Eukaryotes | 2 | 0.55 | Binding ≤ 10μM |
| ACM2-2-E | Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 47 | 0.47 | Binding ≤ 10μM |
| Z50425-1-O | Plasmodium Falciparum (cluster #1 Of 22), Other | Other | 5012 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 2.47 | 0.55 | Binding ≤ 1μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 47.3 | 0.47 | Binding ≤ 1μM |
| ACM1_RAT | P08482 | Muscarinic Acetylcholine Receptor M1, Rat | 2.47 | 0.55 | Binding ≤ 10μM |
| ACM2_RAT | P10980 | Muscarinic Acetylcholine Receptor M2, Rat | 47.3 | 0.47 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 5011.87234 | 0.34 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| Muscarinic acetylcholine receptors |
