General Information of the Compound
Compound ID
CP0014908
Compound Name
4-(acetylamino)-N-(2-amino-phenyl) benzamide
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Synonyms
4-(Acetylamino)-N-(2-aminophenyl)benzamide
4-acetamido-N-(2-aminophenyl)benzamide
4-acetamido-n-(2-aminophenyl)benzamid
4-acetylamino-N-(2'-aminophenyl)benzamide
Acetyldinaline
C.I. 994
Ci-994
Goe 5549
Goe-5549
PD 123654
PD-123654
Tacedinalina
Tacedinalina [INN-Spanish]
Tacedinaline
Tacedinaline (USAN/INN)
Tacedinaline [USAN:INN]
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Structure
Formula
C15H15N3O2
Molecular Weight
269.304
Canonical SMILES
CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
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InChI
InChI=1S/C15H15N3O2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16/h2-9H,16H2,1H3,(H,17,19)(H,18,20)
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InChIKey
VAZAPHZUAVEOMC-UHFFFAOYSA-N
CAS
112522-64-2
Physicochemical Property
logP
2.4795
Rotatable Bonds
3
Heavy Atom Count
20
Polar Areas
84.22
Hydrogen Bond Donor Count
3
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: 2746
SID: 14848338
ChEMBL ID
CHEMBL235191
DrugBank ID
DB12291
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: PT00991, Histone deacetylase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 130 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 570 nM
2 IC50 = 900 nM
3 IC50 = 1090 nM
4 IC50 = 1620 nM
5 IC50 = 18220 nM
6 Ki = 50 nM
Protein ID: PT00835, Histone deacetylase 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 830 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 900 nM
2 IC50 = 1200 nM
3 IC50 = 1920 nM
4 IC50 = 3850 nM
5 Ki = 190 nM
Clinical Information about the Compound
Drug 1 ( Tacedinaline )
Drug Name Tacedinaline
Company National Cancer Institute (NCI)
Indication
Solid tumour/cancer
Discontinued in Phase 2
Target(s)
Histone deacetylase 1 (HDAC1)
Inhibitor