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Compound Detail

CHEMBL561194

ANILINOBENZAMIDE
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NC(=O)c1ccccc1Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL561194
Name ANILINOBENZAMIDE
Phase Preclinical
Structure Type MOL
InChI Key JKWQUMKCVDUICQ-UHFFFAOYSA-N
2
Targets
12
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names

Molecular Properties

212.2
MW (Da)
2.53
ALogP
2
HBA
2
HBD
55.1
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H12N2O
MW 212.25
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.12

Activity Summary

IC50 12 meas. best 4.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NAD-dependent protein deacetylase sirtuin-1
CHEMBL4506
 IC50 4.77 4.5967 17000.0 6
NAD-dependent protein deacetylase sirtuin-2
CHEMBL4462
 IC50 4.13 4.13 74000.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NAD-dependent protein deacetylase sirtuin-1 IC50 = 17000.0 nM 4.77 Inhibition of SIRT1 21080630
NAD-dependent protein deacetylase sirtuin-1 IC50 = 17000.0 nM 4.77 Inhibition of SIRT-1 (unknown origin) -
NAD-dependent protein deacetylase sirtuin-1 IC50 = 17000.0 nM 4.77 Inhibition of SIRT1 (unknown origin) using acetylated lysine as substrate by Flu... 27153347
NAD-dependent protein deacetylase sirtuin-1 IC50 = 17000.0 nM 4.77 Inhibition of sirtuin 1 (unknown origin) 30342425
NAD-dependent protein deacetylase sirtuin-1 IC50 = 56000.0 nM 4.25 Inhibition of human recombinant SIRT1 by fluorimetric analysis 19616958
NAD-dependent protein deacetylase sirtuin-1 IC50 = 56000.0 nM 4.25 Inhibition of human recombinant SIRT1 using Fluor de Lys-SIRT as substrate incub... 22642300
NAD-dependent protein deacetylase sirtuin-2 IC50 = 74000.0 nM 4.13 Inhibition of SIRT-2 (unknown origin) -
NAD-dependent protein deacetylase sirtuin-2 IC50 = 74000.0 nM 4.13 Inhibition of SIRT2 (unknown origin) using acetylated lysine as substrate by Flu... 27153347
NAD-dependent protein deacetylase sirtuin-2 IC50 = 74000.0 nM 4.13 Inhibition of sirtuin 2 (unknown origin) 30342425

Literature References

PubMed DOI Target Context # Activities
19616958 10.1016/j.bmc.2009.07.001 HCT-116 2
19616958 10.1016/j.bmc.2009.07.001 Daudi 2
19616958 10.1016/j.bmc.2009.07.001 NAD-dependent protein deacetylase sirtuin-1 1
22642300 10.1021/jm3002108 NAD-dependent protein deacetylase sirtuin-1 1
22642300 10.1021/jm3002108 NAD-dependent protein deacetylase sirtuin-2 1
21080630 10.1021/jm100861p NAD-dependent protein deacetylase sirtuin-1 1
- 10.1039/C1MD00199J NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1
- 10.1039/C1MD00199J NAD-dependent protein deacetylase sirtuin-2 1
- 10.1039/C1MD00199J NAD-dependent protein deacetylase sirtuin-1 1
27153347 10.1016/j.ejmech.2016.04.063 NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1
27153347 10.1016/j.ejmech.2016.04.063 NAD-dependent protein deacetylase sirtuin-2 1
27153347 10.1016/j.ejmech.2016.04.063 NAD-dependent protein deacetylase sirtuin-1 1
30342425 10.1016/j.ejmech.2018.10.028 NAD-dependent protein deacetylase sirtuin-1 1
30342425 10.1016/j.ejmech.2018.10.028 NAD-dependent protein deacetylase sirtuin-2 1
30342425 10.1016/j.ejmech.2018.10.028 NAD-dependent protein deacetylase sirtuin-3, mitochondrial 1

Data from ChEMBL 36 via Core Engine