General Information of the Compound
Compound ID
CP0049256
Compound Name
CAS_29110-47-2
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Synonyms
(2,6-dichlorophenylacetyl)-guanidine
29110-47-2
30OMY4G3MK
A902647
A918619
AB01563079_01
AKOS030255657
AKOS030526130
BCP09647
BDBM81984
BPBio1_000415
BRD-K32830106-003-03-0
BRD-K32830106-003-11-3
BSPBio_000377
Benzeneacetamide, N-(aminoiminomethyl)-2,6-dichloro-
C02AC02
C07037
CAS-29110-48-3
CAS_29110-47-2
CCG-204609
CHEBI:5558
CHEMBL862
D08031
DB01018
DTXCID7026944
DTXSID9046944
EINECS 249-442-8
EN300-243924
Estulic
Estulic (Salt/Mix)
Estulic (TN)
FT-0669067
FT-0669068
GTPL522
GUANFACINE
GUANFACINE [INN]
GUANFACINE [MI]
GUANFACINE [VANDF]
GUANFACINE [WHO-DD]
Guanfacina
Guanfacina (INN-Spanish)
Guanfacina [INN-Spanish]
Guanfacine
Guanfacine (INN)
Guanfacine [INN:BAN]
Guanfacine hydrochloride (Salt/Mix)
Guanfacinum
Guanfacinum (INN-Latin)
Guanfacinum [INN-Latin]
HY-17416A
J-017394
L000286
L013430
LON 798 (Salt/Mix)
Lopac-G-1043
Lopac0_000519
MRF-0000019
N-(Diaminomethyliden)-2-(2,6-dichlorophenyl)acetamid
N-(diaminomethylidene)-2-(2,6-dichlorophenyl)acetamide
N-amidino-2-(2,6-dichlorophenyl)acetamide
N-carbamimidoyl-2-(2,6-dichlorophenyl)acetamide
NCGC00015469-01
NCGC00015469-02
NCGC00015469-03
NCGC00015469-04
NCGC00015469-05
NCGC00015469-06
NCGC00015469-07
NCGC00024950-01
NCGC00024950-02
NCGC00024950-03
NSC 759121
NSC-759121
NSC_3519
Prestwick0_000339
Prestwick1_000339
Prestwick2_000339
Prestwick3_000339
Q5613599
RASPBERRYKETONEGLUCOSIDE
SCHEMBL35094
SDCCGSBI-0050502.P002
SPBio_002298
Tenex (Salt/Mix)
Tocris-1030
UNII-30OMY4G3MK
[(2,6-Dichlorophenyl)acetyl]guanidine hydrochloride;Guanfacine HCl
[(2,6-dichlorophenyl)acetyl]guanidine
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Structure
Formula
C9H9Cl2N3O
Molecular Weight
246.097
Canonical SMILES
NC(=N)NC(=O)Cc1c(Cl)cccc1Cl
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InChI
InChI=1S/C9H9Cl2N3O/c10-6-2-1-3-7(11)5(6)4-8(15)14-9(12)13/h1-3H,4H2,(H4,12,13,14,15)
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InChIKey
INJOMKTZOLKMBF-UHFFFAOYSA-N
CAS
29110-47-2
Physicochemical Property
logP
1.54557
Rotatable Bonds
2
Heavy Atom Count
15
Polar Areas
78.97
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
15

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3519
SID: 15391685
ChEMBL ID
CHEMBL862
DrugBank ID
DB01018
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06109, Geminin
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480
 Cell Line Info 
Homo sapiens (Human)  1
1
Potency ~ 13335.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06796, POU domain, class 2, transcription factor 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
Km = 8600 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Guanfacine )
Drug Name Guanfacine
Company Imperial College London, UK National Institute of Health Research
Indication
Alzheimer disease
Phase 3
Target(s)
Adrenergic receptor alpha-2A (ADRA2A)
 Target Info 
Agonist