General Information of the Compound
Compound ID
CP0178912
Compound Name
4-Acetylamino-N-(2-diethylamino-ethyl)-benzamide
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Synonyms
NAPA
32795-44-1
4'-((2-(Diethylamino)ethyl)carbamoyl)acetanilide
4-acetamido-N-[2-(diethylamino)ethyl]benzamide
910Q707V6F
ACETANILIDE,
ASL-601
Acecainida
Acecainida [INN-Spanish]
Acecainide
Acecainide [INN]
Acecainide hydrochloride
Acecainidum
Acecainidum [INN-Latin]
Acekainid
Acekainid [Polish]
Acetylprocainamide
BRN 2868559
Benzamide, 4-(acetylamino)-N-(2-(diethylamino)ethyl)-
CHEBI:60728
CHEMBL1097
KEECCEWTUVWFCV-UHFFFAOYSA-N
MLS000069490
N-Acetyloprokainamid
N-Acetyloprokainamid [Polish]
N-Acetylprocainamide
NAPA
SMR000059070
UNII-910Q707V6F
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Structure
Formula
C15H23N3O2
Molecular Weight
277.368
Canonical SMILES
CCN(CC)CCNC(=O)c1ccc(NC(C)=O)cc1
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InChI
InChI=1S/C15H23N3O2/c1-4-18(5-2)11-10-16-15(20)13-6-8-14(9-7-13)17-12(3)19/h6-9H,4-5,10-11H2,1-3H3,(H,16,20)(H,17,19)
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InChIKey
KEECCEWTUVWFCV-UHFFFAOYSA-N
Physicochemical Property
logP
1.7166
Rotatable Bonds
7
Heavy Atom Count
20
Polar Areas
61.44
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
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: 4342
SID: 14750781
ChEMBL ID
CHEMBL1097
DrugBank ID
DB17602
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
IC50 = 8800 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
IC50 = 5000 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Acecainide )
Drug Name Acecainide
Company King Pharmaceuticals R&D Inc
Indication
Solid tumour/cancer
Discontinued in Phase 3
Target(s)
Voltage-gated sodium channel alpha Nav1.5 (SCN5A)
Blocker