General Information of the Compound
Compound ID
CP0011217
Compound Name
4-amino-N-[2-(diethylamino)ethyl]benzamide;hydrochloride
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Synonyms
2-Diethylaminoethylamid kyseliny p-aminobenzoove
2-Diethylaminoethylamid kyseliny p-aminobenzoove [Czech]
4-Amino-N-(2-(Diethylamino)Ethyl)Benzamide Sulfate
4-Amino-N-(2-(diethylamino)ethyl)benzamide
4-Amino-N-[2-(diethylamino)ethyl]benzamide
4-amino-N-(2-diethylaminoethyl)-benzamide
4-amino-N-(2-diethylaminoethyl)benzamide
Benzamide, 4-amino-N-(2-(diethylamino)ethyl)-(9CI)
Biocoryl
Novocainamid
Novocainamide
Novocaine amide
Novocamid
P-Amino-N-(2-diethylaminoethyl)benzamide
P-Aminobenzoic diethylaminoethylamide
Procainamida
Procainamida [INN-Spanish]
Procainamide
Procainamide (INN)
Procainamide [INN:BAN]
Procainamidum
Procainamidum [INN-Latin]
Procaine amide
Procamide
Procan
Procan (TN)
Procanbid
Procanbid (TN)
Procapan
Procapan (free base)
Pronestyl
Pronestyl (TN)
Pronestyl-Sr
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Structure
Formula
C13H21N3O
Molecular Weight
235.331
Canonical SMILES
CCN(CC)CCNC(=O)c1ccc(N)cc1
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InChI
InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)
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InChIKey
REQCZEXYDRLIBE-UHFFFAOYSA-N
CAS
51-06-9
Physicochemical Property
logP
1.3404
Rotatable Bonds
6
Heavy Atom Count
17
Polar Areas
58.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 4913
SID: 15220788
ChEMBL ID
CHEMBL640
DrugBank ID
DB01035
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: 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 = 47000 nM
   TI
   LI
   LO
   TS
Protein ID: PT03795, Solute carrier family 22 member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000017 HeLa Homo sapiens (Human)  1
1
Ki = 73900 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 = 36000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Procainamide )
Drug Name Procainamide
Indication
Ventricular arrhythmias
Approved