General Information of the Compound
Compound ID
CP0050781
Compound Name
5'-(N-ethyl-N-isopropyl)amiloride
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Synonyms
1154-25-2
3-Amino-N-(aminoiminomethyl)-6-chloro-5-(ethyl(1-methylethyl)amino)pyrazinecarboxamide
3-Amino-N-(aminoiminomethyl)-6-chloro-5-[ethyl(1-methylethyl)amino]-2-pyrazinecarboxamide
5'-(N-ethyl-N-isopropyl)amiloride
5-(Ethylisopropyl)amiloride
5-(N-Ethyl-N-isopropyl) Amiloride
5-(N-Ethyl-N-isopropyl)amiloride
5-(N-ethyl-N-isopropyl)-Amiloride
C11H18ClN7O
CHEMBL517986
EIPA
Ethyl isopropyl amiloride
Ethylisopropylamiloride
N-Amidino-3-amino-5-ethylisopropylamino-6-chloropyrazine carboxamide
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Structure
Formula
C11H18ClN7O
Molecular Weight
299.766
Canonical SMILES
CCN(C(C)C)c1nc(N)c(nc1Cl)C(=O)NC(N)=N
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InChI
InChI=1S/C11H18ClN7O/c1-4-19(5(2)3)9-7(12)16-6(8(13)17-9)10(20)18-11(14)15/h5H,4H2,1-3H3,(H2,13,17)(H4,14,15,18,20)
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InChIKey
QDERNBXNXJCIQK-UHFFFAOYSA-N
Physicochemical Property
logP
0.57017
Rotatable Bonds
4
Heavy Atom Count
20
Polar Areas
134.01
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
20

"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: 1795
SID: 152163695
ChEMBL ID
CHEMBL517986
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  1
1
Potency ~ 19952.6 nM
   TI
   LI
   LO
   TS
Protein ID: PT06124, Paired box protein Pax-8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000097 RMG-I Homo sapiens (Human)  1
1
AC50 = 20940 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 = 10 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 10 nM
2 Ki = 10 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 = 2400 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2400 nM
2 Ki = 2400 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 = 420 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 420 nM
2 Ki = 420 nM
Clinical Information about the Compound
Drug 1 ( 5'-(N-ethyl-N-isopropyl)amiloride )
Drug Name 5'-(N-ethyl-N-isopropyl)amiloride
Target(s)
Sodium/hydrogen exchanger 1 (SLC9A1)
Inhibitor