UCSF

ZINC03872738

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 2005 15 No

Popular Name: Guanfacine hydrochloride Guanfacine hydrochloride

Find On: PubMed — Wikipedia — Google

CAS Numbers: 29110-47-2 , 29110-48-3 , 29520-14-7

Other Names:

29110-47-2 (Parent)

29110-47-2; C07037; Guanfacine

29110-47-2; D08031; Estulic (TN); Guanfacine (INN)

29110-48-3

29110-48-3; D00606; Guanfacine hydrochloride (JAN/USP); Tenex (TN)

29110-48-3; Guanfacine hydrochloride; Prestwick_740

AC1L2G3E

AC1Q3P39

AR-1K6511

Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, hydrochloride (1:1)

Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride

BRD-K32830106-003-03-0

BS 100-141

BS 100-141; Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-, monohydrochloride; C9H9Cl2N3O.HCl; EINECS 249-443-3; Estulic; GUANFACINE HCL; GUANFACINE HYDROCHLORIDE; Guanfacine hydrochloride [USAN:JAN]; LON 798; LS-28474; N-(Aminoiminomethyl)-2,6-dich

BS-100-141

BS-100-141; Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-; C9H9Cl2N3O; EINECS 249-442-8; Estulic; Guanfacina [INN-Spanish]; Guanfacine; Guanfacine Monohydrochloride; Guanfacine [INN:BAN]; Guanfacinum [INN-Latin]; LS-174236; Lon798; Tenex

C9H9Cl2N3O.HCl

CHEMBL1200494

CID71401

Connexyn

D00606

DAP001362

EINECS 249-443-3

Estulic

EU-0100519

G 1043

guan-

Guanfacin hydrochloride

Guanfacina [INN-Spanish]

Guanfacina [INN-Spanish];Guanfacinum [INN-Latin];SPD 503

Guanfacine

Guanfacine (BAN

Guanfacine HCl

Guanfacine Hydrochloride

Guanfacine hydrochloride (JAN/USP)

Guanfacine hydrochloride [USAN:JAN]

GUANFACINEHCL

Guanfacinum [INN-Latin]

HMS1569C19

INN); Guanfacine HCl (FDA

INN); Guanfacine Hydrochloride (FDA

Intuniv

JAN

LON 798

LS-28474

MFCD00798230

MFCD00865944

MLS000069745

MLS001077329

MLS002222252

MolPort-003-666-686

N-(aminoiminomethyl)-2,6-dichloro-benzeneacetamide hydrochloride

N-(Aminoiminomethyl)-2,6-dichlorobenzeneacetamide hydrochloride

N-(Aminoiminomethyl)-2,6-dichlorophenylacetamide monohydrochloride

N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide hydrochloride

N-Amidino-2-(2,6-dichlorophenyl)acetamide hydrochloride

N-Amidino-2-(2,6-dichlorophenyl)acetamide monohydrochloride

N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamide hydrochloride

N-Carbamimidoyl-2-(2,6-dichlorophenyl)acetamidehydrochloride

n-carbamimidoyl-2-(2,6-dichlorphenyl)acetamidhydrochlorid

NCGC00093914-01

NCGC00180965-01

Prestwick_740

S-877503

SMR000058453

SPD 503

SPD-503

Tenex

Tenex (TN)

UNII-PML56A160O

USAN

USAN)

USP

USP)

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) 1.43 3.41 -10.45 4 4 0 81 246.097 2 ↓

Vendor Notes

Note Type Comments Provided By
ALOGPS_SOLUBILITY 1.39e-01 g/l DrugBank-approved
Therapy antihypertensive SMDC Pharmakon

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
NISCH-1-E Nischarin (cluster #1 Of 4), Eukaryotic Eukaryotes 19 0.72 Binding ≤ 10μM
Z50425-9-O Plasmodium Falciparum (cluster #9 Of 22), Other Other 3981 0.50 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NISCH_HUMAN Q9Y2I1 Nischarin, Human 19.0107828 0.72 Binding ≤ 1μM
NISCH_HUMAN Q9Y2I1 Nischarin, Human 19.0107828 0.72 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 2511.88643 0.52 Functional ≤ 10μM

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

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