| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 14 | No |
Popular Name: Clonidine hydrochloride Clonidine hydrochloride
Find On: PubMed — Wikipedia — Google
CAS Numbers: 4205-90-7 , 4205-91-8 , 4205-91-8, 4205-90-7 , 4205-91-8, 4205-90-7 [clonidine] , 92755-66-3 , [4205-91-8]
1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-
1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- (9CI)
1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- [CAS]; CPD000466276; SAM001247073
1H-imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, 4-methylbenzenesulfonate (1:1)
2,6-dichloro-N-(2-imidazolidinylidene)aniline
2,6-dichloro-N-2-imidazolidinylidenebenzenamide
2,6-Dichloro-N-2-imidazolidinylidenebenzenamine
2,6-dichloro-N-2-imidazolidinylidenebenzenamine; 2-[(2,6-dichlorophenyl)imino]imidazoline
2,6-dichloro-N-imidazolidin-2-ylideneaniline
2-((2,6-Dichlorophenyl)imino)imidazolidine
2-(2,6-Dichloroanilino)-1,3-diazacyclopentene-(2)
2-(2,6-dichloroanilino)-1,3-diazacyclopentene-(2); 2-(2,6-dichloroanilino)-2-imidazoline
2-(2,6-Dichloroanilino)-2-imidazoline
2-(2,6-DICHLOROANILINO)-2-IMIDAZOLINE HYDROCHLORID
2-(2,6-DICHLOROANILINO)-2-IMIDAZOLINE HYDROCHLORIDE
2-(2,6-Dichlorophenylamino)-2-imidazoline
2-(2,6-Dichlorophenylimino)imidazolidine
2-Imidazoline, 2-(2,6-dichloroanilino)-
2-Imidazoline, 2-(2,6-dichloroanilino)- (7CI,8CI)
2-IMIDAZOLINE, 2-(2,6-DICHLOROPHENYLAMINO)-
2-[(2,6-dichlorophenyl)imino]-2-imidazoline
2-[(2,6-Dichlorophenyl)imino]imidazoline
4205-90-7; Catarpres-TTS (TN); Clonidine (JAN/USP/INN); D00281
4205-91-8 (mono-hydrochloride)
4205-91-8; Catapres (TN); Clonidine hydrochloride (JP16/USP); D00604
4205-91-8; Clonidine hydrochloride; Prestwick_73
Benzenamine, 2,6-dichloro-N-2-imidazolidinylidene-
Chlornidinum;Clonidin;Clonidinhydrochlorid;Clonidinum [INN-Latin];ST 155BS
Clonidine hydrochloride (Catapres)
CPD000466276; 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- [CAS]; 4205-91-8
DICHLOROPHENYLDIHYDROIMIDAZOLAMINEMETHYLBENZENESULFONAT
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine
N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine 4-methylbenzenesulfonate
N-(2,6-Dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine HCl
N-(2,6-dichlorophenyl)-4,5-dihydro-1H-imidazol-2-amine 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) | 1.92 | 5.66 | -7.16 | 2 | 3 | 0 | 36 | 230.098 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 312 | TCI |
| ALOGPS_SOLUBILITY | 4.80e-01 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| UniProt Database Links | ADA2A_HUMAN; ADA2B_HUMAN; OAR1_LYMST; OAR2_LYMST; OAR_DROME | ChEBI |
| Target | Adrenergic Receptor | Selleck Chemicals |
| Therapy | alpha2 Adrenoceptor agonist; antihypertensive | SMDC Iconix |
| therap | antihypertensive | MicroSource Spectrum |
| Patent Database Links | EP0908186; EP1454902; EP1457490; EP1754712; US2002115655; US2004142904; US2004254182; US2005119312; US2005176749; US2005281845; US2006020000; US2006167081; US2006258726; US2008194672; US2008221161; US2008287489; WO2005002520; WO2005026128; WO2005090304; W | ChEBI |
| Warnings | IRRITANT | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Tocris Cookson Ltd.; NCC_SUPPLIER_STRUCTURE_ID : 0690; 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Tocris Bioscience; SUPPLIER_STRUCTURE_ID: 0690; SALT: 1 hydrogen chloride | NIH Clinical Collection via PubChem |
| PUBCHEM_PATENT_ID | US4094964 | IBM Patent Data |
| PUBCHEM_PATENT_ID | US5541340 | IBM Patent Data |
| Indications | veterinary anaesthetic, ADHD, anxiety/panic, antihypertensive | KeyOrganics Bioactives |
| PUBCHEM_PATENT_ID | WO2000061170A2 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ADA1A-2-E | Alpha-1a Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 510 | 0.63 | Binding ≤ 10μM |
| ADA1B-4-E | Alpha-1b Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 510 | 0.63 | Binding ≤ 10μM |
| ADA1D-2-E | Alpha-1d Adrenergic Receptor (cluster #2 Of 3), Eukaryotic | Eukaryotes | 510 | 0.63 | Binding ≤ 10μM |
| ADA2A-2-E | Alpha-2a Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2 | 0.87 | Binding ≤ 10μM |
| ADA2B-3-E | Alpha-2b Adrenergic Receptor (cluster #3 Of 4), Eukaryotic | Eukaryotes | 8 | 0.81 | Binding ≤ 10μM |
| ADA2C-2-E | Alpha-2c Adrenergic Receptor (cluster #2 Of 4), Eukaryotic | Eukaryotes | 6 | 0.82 | Binding ≤ 10μM |
| NISCH-1-E | Nischarin (cluster #1 Of 4), Eukaryotic | Eukaryotes | 9 | 0.80 | Binding ≤ 10μM |
| ADA1A-2-E | Alpha-1a Adrenergic Receptor (cluster #2 Of 2), Eukaryotic | Eukaryotes | 290 | 0.65 | Functional ≤ 10μM |
| ADA1B-1-E | Alpha-1b Adrenergic Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 290 | 0.65 | Functional ≤ 10μM |
| ADA1D-4-E | Alpha-1d Adrenergic Receptor (cluster #4 Of 4), Eukaryotic | Eukaryotes | 290 | 0.65 | Functional ≤ 10μM |
| ADA2A-1-E | Alpha-2a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.84 | Functional ≤ 10μM |
| ADA2B-1-E | Alpha-2b Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.84 | Functional ≤ 10μM |
| ADA2C-1-E | Alpha-2c Adrenergic Receptor (cluster #1 Of 3), Eukaryotic | Eukaryotes | 4 | 0.84 | Functional ≤ 10μM |
| Z104304-2-O | Adrenergic Receptor Alpha-1 (cluster #2 Of 3), Other | Other | 528 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 116 | 0.69 | Binding ≤ 1μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 510 | 0.63 | Binding ≤ 1μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 510 | 0.63 | Binding ≤ 1μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 510 | 0.63 | Binding ≤ 1μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 0.39 | 0.94 | Binding ≤ 1μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 21 | 0.77 | Binding ≤ 1μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 2 | 0.87 | Binding ≤ 1μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1.5 | 0.88 | Binding ≤ 1μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 21 | 0.77 | Binding ≤ 1μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1.5 | 0.88 | Binding ≤ 1μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 160 | 0.68 | Binding ≤ 1μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 10 | 0.80 | Binding ≤ 1μM |
| NISCH_RAT | Q4G017 | Nischarin, Rat | 366.2 | 0.64 | Binding ≤ 1μM |
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 116 | 0.69 | Binding ≤ 10μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 510 | 0.63 | Binding ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 510 | 0.63 | Binding ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 510 | 0.63 | Binding ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 0.39 | 0.94 | Binding ≤ 10μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 21 | 0.77 | Binding ≤ 10μM |
| ADA2A_BOVIN | Q28838 | Alpha-2a Adrenergic Receptor, Bovin | 2 | 0.87 | Binding ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 1.5 | 0.88 | Binding ≤ 10μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 21 | 0.77 | Binding ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 1.5 | 0.88 | Binding ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 160 | 0.68 | Binding ≤ 10μM |
| NISCH_HUMAN | Q9Y2I1 | Nischarin, Human | 10 | 0.80 | Binding ≤ 10μM |
| NISCH_RAT | Q4G017 | Nischarin, Rat | 366.2 | 0.64 | Binding ≤ 10μM |
| ADA1A_HUMAN | P35348 | Alpha-1a Adrenergic Receptor, Human | 290 | 0.65 | Functional ≤ 10μM |
| ADA1B_HUMAN | P35368 | Alpha-1b Adrenergic Receptor, Human | 290 | 0.65 | Functional ≤ 10μM |
| ADA1D_HUMAN | P25100 | Alpha-1d Adrenergic Receptor, Human | 290 | 0.65 | Functional ≤ 10μM |
| ADA2A_HUMAN | P08913 | Alpha-2a Adrenergic Receptor, Human | 4.4 | 0.84 | Functional ≤ 10μM |
| ADA2A_RAT | P22909 | Alpha-2a Adrenergic Receptor, Rat | 3.9 | 0.84 | Functional ≤ 10μM |
| ADA2B_RAT | P19328 | Alpha-2b Adrenergic Receptor, Rat | 3.9 | 0.84 | Functional ≤ 10μM |
| ADA2B_HUMAN | P18089 | Alpha-2b Adrenergic Receptor, Human | 4.4 | 0.84 | Functional ≤ 10μM |
| ADA2C_HUMAN | P18825 | Alpha-2c Adrenergic Receptor, Human | 4.4 | 0.84 | Functional ≤ 10μM |
| ADA2C_RAT | P22086 | Alpha-2c Adrenergic Receptor, Rat | 3.9 | 0.84 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Adrenaline signalling through Alpha-2 adrenergic receptor | |
| Adrenaline,noradrenaline inhibits insulin secretion | |
| Adrenoceptors | |
| G alpha (12/13) signalling events | |
| G alpha (i) signalling events | |
| G alpha (q) signalling events | |
| G alpha (z) signalling events |
No pre-computed analogs available. Try a structural similarity search.