General Information of the Compound
| Compound ID |
CP0110087
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CAS_1794
Show/Hide
|
||||||||||||||||||
| Synonyms |
1428-95-1
3-Amino-6-chloro-5-(1-homopiperidyl)-N-(diaminomethylene)pyrazinecarboxamide
3-Amino-N-(aminoiminomethyl)-6-chloro-5-(hexahydro-1H-azepin-1-yl)pyrazinecarboxamide
3-amino-5-(azepan-1-yl)-6-chloro-N-(diaminomethylene)pyrazine-2-carboxamide
5-(N,N-Hexamethylene)amiloride
5-(N,N-hexamethylene)-amiloride
5-HMA
BIDD
BSPBio_003443
C12H18ClN7O
CHEBI:76400
DivK1c_006875
HMA
HMA-5
Hexamethylene amiloride
Hexamethyleneamiloride
KBioGR_001206
KBioSS_002076
Lopac-A-9561
Lopac0_000104
MLS002153208
N,N-HEXAMETHYLENEAMILORIDE
Pyrazinecarboxamide, 3-amino-N-(aminoiminomethyl)-6-chloro-5-(hexahydro-1H-azepin-1-yl)-
SPECTRUM1504215
SpecPlus_000779
Spectrum2_001669
Spectrum3_001662
Spectrum4_000623
Spectrum5_001388
Spectrum_001596
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H18ClN7O
|
||||||||||||||||||
| Molecular Weight |
311.777
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NC(=O)c1nc(Cl)c(nc1N)N1CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H18ClN7O/c13-8-10(20-5-3-1-2-4-6-20)18-9(14)7(17-8)11(21)19-12(15)16/h1-6H2,(H2,14,18)(H4,15,16,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RQQJJXVETXFINY-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"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). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
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
Protein ID: PT06109, Geminin
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01105, Sodium channel protein type 5 subunit alpha
Protein ID: PT04400, Sodium/hydrogen exchanger 1
Protein ID: PT04309, Sodium/hydrogen exchanger 3
Protein ID: PT02731, Sodium/hydrogen exchanger 5
Clinical Information about the Compound
Drug 1 ( 5-(N,N-hexamethylene)-amiloride )
| Drug Name | 5-(N,N-hexamethylene)-amiloride | ||
|---|---|---|---|
| Indication | |||
| Target(s) | |||