General Information of the Compound
Compound ID
CP0083553
Compound Name
3,5-diamino-6-chloro-N-(diaminomethylene)pyrazinamide;hydrochloride
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Synonyms
3,5-Diamino-N-(aminoiminomethyl)-6-chloropyrazinecarboxamide
3,5-diamino-6-chloro-N-(diaminomethylidene)pyrazine-2-carboxamide
3,5-diamino-N-[amino(imino)methyl]-6-chloropyrazine-2-carboxamide
3,5-diamino-N-carbamimidoyl-6-chloropyrazine-2-carboxamide
AMILORIDE (SEE ALSO: AMILORIDE HCL (2016-88-8))
Amiclaran
Amiclaran (TN)
Amikal (Hydrochloride dihydrate)
Amilorida
Amilorida [INN-Spanish]
Amiloride
Amiloride (INN)
Amiloride (Na-Ca chanel blocker)
Amiloride HCL
Amiloride [INN:BAN]
Amiloride hydrochloride hydrate
Amiloridum
Amiloridum [INN-Latin]
Amipramidin
Amipramizid
Amipramizide
Amiprazidine
Amyloride
Biduret (TN)
Guanamprazin
Guanamprazine
MK-870 (Hydrochloride dihydrate)
Midamor
Midamor (Hydrochloride dihydrate)
N-Amidino-3,5-diamino-6-chloropyrazinecarboxamide
N-Amidino-3,5-diamino-6-chlorpyrazincarboxamid
Pyrazinecarboxamide, 3,5-diamino-N-(aminoiminomethyl)-6-chloro-, monohydrochloride
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Structure
Formula
C6H8ClN7O
Molecular Weight
229.631
Canonical SMILES
NC(=N)NC(=O)c1nc(Cl)c(N)nc1N
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InChI
InChI=1S/C6H8ClN7O/c7-2-4(9)13-3(8)1(12-2)5(15)14-6(10)11/h(H4,8,9,13)(H4,10,11,14,15)
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InChIKey
XSDQTOBWRPYKKA-UHFFFAOYSA-N
CAS
2609-46-3
Physicochemical Property
logP
-1.08233
Rotatable Bonds
1
Heavy Atom Count
15
Polar Areas
156.79
Hydrogen Bond Donor Count
5
Hydrogen Bond Acceptor Count
6
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: 16231
SID: 14798141
ChEMBL ID
CHEMBL945
DrugBank ID
DB00594
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: PT00862, Adenosine receptor A2a
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000053 COS-7 Chlorocebus aethiops (Green monkey)  3
1
Ki = 3280 nM
   TI
   LI
   LO
   TS
2
Ki = 11600 nM
   TI
   LI
   LO
   TS
3
Ki = 12000 nM
   TI
   LI
   LO
   TS
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 3909 nM
   TI
   LI
   LO
   TS
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Protein ID: PT04400, Sodium/hydrogen exchanger 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000429 AP-1 Homo sapiens (Human)  1
1
Ki = 1000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1000 nM
2 Ki = 1000 nM
Protein ID: PT04309, Sodium/hydrogen exchanger 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000429 AP-1 Homo sapiens (Human)  1
1
Ki > 100000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 > 100000 nM
2 Ki > 100000 nM
Protein ID: PT02731, Sodium/hydrogen exchanger 5
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000429 AP-1 Homo sapiens (Human)  1
1
Ki = 21000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 21000 nM
2 Ki = 21000 nM
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 57000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06157, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
Ki = 6900 nM
   TI
   LI
   LO
   TS
Protein ID: PT04368, Solute carrier family 22 member 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
Ki = 4700 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Amiloride )
Drug Name Amiloride
Company Tornett pharmaceutical
Indication
Congestive heart failure
Approved
Target(s)
Acid-sensing ion channel 1 (ASIC1)
Modulator