UCSF

ZINC00896484

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 14 No

Other Names:

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; Clonidine Hydrochloride; SAM001247073

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)

1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro-, monohydrochloride; 2-((2,6-Dichlorophenyl)amino)-2-imidazoline hydrochloride; 2-((2,6-Dichlorophenyl)imino)imidazolidine monohydrochloride; 2-(2,6-Dichloroanilino)-2-imidazoline hydrochloride; 2-(2

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

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

57066-25-8

734571A

AB00514634

AC1L1EI5

AC1Q3K6V

Adesipress

AKOS001595470

BAN

Benzenamine, 2,6-dichloro-N-2-imidazolidinylidene-

BIDD:GT0547

Bio1_000470

Bio1_000959

Bio1_001448

Bio2_000308

Bio2_000788

BPBio1_000040

BRD-K98530306-001-02-1

BRD-K98530306-003-05-0

BSPBio_000036

BSPBio_001588

BSPBio_002055

C9H9Cl2N3

CAS-4205-91-8

Catapres

Catapres- TTS

Catapres-TTS

Catapres-tts-1

Catapres-tts-2

Catapres-tts-3

Catapresan

Catapressan

Catarpres

Catarpres-TTS

Catarpres-TTS (TN)

Catarpresan

CCRIS 7787

CHEBI:3757

CHEBI:46632

CHEMBL134

Chlornidinum

Chlornidinum;Clonidin;Clonidinhydrochlorid;Clonidinum [INN-Latin];ST 155BS

CID2803

Clofenil

Clonidin

Clonidina

Clonidina [INN-Spanish]

Clonidine

clonidine (amino form)

Clonidine (BAN

Clonidine (hydrochloride)

clonidine (imino form)

Clonidine (JAN/USAN/INN)

Clonidine (USP

Clonidine HCl

Clonidine Hydrochloride

Clonidine hydrochloride (Catapres)

Clonidine [USAN:BAN:INN]

Clonidinhydrochlorid

Clonidinum

Clonidinum [INN-Latin]

Clonistada

Clopheline

CPD000466276; 1H-Imidazol-2-amine, N-(2,6-dichlorophenyl)-4,5-dihydro- [CAS]; 4205-91-8

D00281

DAP000231

DB00575

DB07566

DICHLOROPHENYLDIHYDROIMIDAZOLAMINEMETHYLBENZENESULFONAT

DivK1c_000774

Dixarit

Duraclon

Duraclont

EINECS 224-119-4

FDA

FDA)

Gemiton

Hemiton

HMS1361P10

HMS1791P10

HMS1989P10

HMS2089G11

HSDB 3040

IDI1_000774

IDI1_034058

INN

Ipotensium

Isoglaucon

JAN

KBio1_000774

KBio2_000308

KBio2_001821

KBio2_002876

KBio2_004389

KBio2_005444

KBio2_006957

KBio3_000615

KBio3_000616

KBio3_001275

KBioGR_000308

KBioGR_001572

KBioSS_000308

KBioSS_001821

Klofelin

Klofenil

L000193

LS-79606

M 5041T

M-5041T

MFCD00036705

MFCD17012616

MolPort-001-779-668

MolPort-005-932-374

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

NCGC00015268-01

NCGC00015268-02

NCGC00015268-08

NCGC00024734-01

NCGC00024734-02

NCGC00024734-03

NCGC00024734-04

NCGC00024734-05

NCGC00179680-01

nchembio.79-comp11

nchembio705-10

NINDS_000774

Prestwick0_000248

Prestwick1_000248

Prestwick2_000248

Prestwick3_000248

SKF 34427

SPBio_001233

SPBio_002255

Spectrum2_001187

Spectrum3_000358

Spectrum4_000956

Spectrum5_000759

Spectrum_001341

ST 155BS

ST-155

ST-155-BS

ST-155-BS; ST-155BS; ST-155

ST-155BS

T171

Tenso-Timelets

Tocris-0690

UNII-MN3L5RMN02

USAN

USAN); Clonidine HCl (BAN

USP

USP)

USP); Clonidine HCl (BAN

USP); Clonidine Hydrochloride (BAN

ZINC00896484

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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_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
ADA2A_RAT P22909 Alpha-2a Adrenergic Receptor, Rat 0.39 0.94 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_HUMAN P18089 Alpha-2b Adrenergic Receptor, Human 4.4 0.84 Functional ≤ 10μM
ADA2B_RAT P19328 Alpha-2b Adrenergic Receptor, Rat 3.9 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

Reactome Annotations from Targets (via Uniprot)

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

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.