General Information of the Compound
| Compound ID |
CP0014442
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| Compound Name |
4-[5-(4-amidinophenoxy)pentoxy]benzamidine;2-hydroxyethanesulfonic acid
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| Synonyms |
1,3-BIS(4-AMIDINOPHENOXY)PENTANE
4, 4'-Diamidinodiphenoxypentane
4,4'-(1,5-Pentanediylbis(oxy))bis-benzenecarboximidamide
4,4'-(Pentamethylenedioxy)dibenzamide
4,4'-(Pentamethylenedioxy)dibenzamidine
4,4'-Diamidino-.alpha.,.omega.-diphenoxypentane
4,4'-Diamidinodiphenoxypentane
4,4'-[pentane-1,5-diylbis(oxy)]dibenzenecarboximidamide
4-[5-(4-Carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
Benzenecarboximidamide, 4,4'-(1,5-pentanediylbis(oxy))bis-(9CI)
Lomidine
Lomidine (TN)
MB 800
MB-800
Nebupent
Nebupent (*Isethionate)
Nebupent (as isethionate)
P,p'-(Pentamethylene-dioxy)bis-benzamidine
P,p'-(Pentamethylenedioxy)bis[benzamidine]
P,p'-(Pentamethylenedioxy)dibenzamidine
PENTAM
PENTAMIDINE ISETHIONATE
PNT
Pentacarinat
Pentacarinat (*Isethionate)
Pentacarinat (as isethionate)
Pentam 300
Pentam 300 (*Isethionate)
Pentam 300 (as isethionate)
Pentamide
Pentamidin
Pentamidina
Pentamidina [DCIT]
Pentamidine
Pentamidine (INN)
Pentamidine Isethionate 2-Hydroxy-Ethanesulfonic Acid;Pentamidine [INN:BAN:DCF]
Pentamidine isetionate
Pentamidine mesylate
Pentamidinum
Pentamidinum [INN-Latin]
Pneumopent
RP 2512 (*Isethionate)
RP-2512
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| Structure |
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| Formula |
C19H24N4O2
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| Molecular Weight |
340.427
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| Canonical SMILES |
NC(=N)c1ccc(OCCCCCOc2ccc(cc2)C(N)=N)cc1
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| InChI |
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
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| InChIKey |
XDRYMKDFEDOLFX-UHFFFAOYSA-N
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| CAS |
100-33-4
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| 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
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT05367, Multidrug and toxin extrusion protein 1
Protein ID: PT05330, Multidrug and toxin extrusion protein 2
Protein ID: PT03795, Solute carrier family 22 member 1
Protein ID: PT04591, Solute carrier family 22 member 2
Protein ID: PT06607, Solute carrier family 22 member 3
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000040 | THP-1 | Homo sapiens (Human) | 1 |
| 1 |
CC50 = 10000 nM
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TI
LI
LO
TS
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Clinical Information about the Compound