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Compound Detail

CHEMBL267373

BENZAMIDE
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NC(=O)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL267373
Name BENZAMIDE
Phase Preclinical
Structure Type MOL
InChI Key KXDAEFPNCMNJSK-UHFFFAOYSA-N
1
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

121.1
MW (Da)
0.79
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C7H7NO
MW 121.14
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness -0.89

Activity Summary

IC50 3 meas. best 5.27
Ki 2 meas.

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Poly [ADP-ribose] polymerase 1
CHEMBL3105
 IC50 5.27 4.8767 5400.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Poly [ADP-ribose] polymerase 1 IC50 = 5400.0 nM 5.27 Inhibition of PARP-1 using [32P]-NAD+ after 15 mins 21692479
Poly [ADP-ribose] polymerase 1 IC50 = 20000.0 nM 4.7 Inhibitory activity against Poly (ADP-ribose) polymerase 1 12825952
Poly [ADP-ribose] polymerase 1 IC50 = 22000.0 nM 4.66 The compound was tested for poly(ADP-ribose)-polymerase (PARP) inhibition 11689065

Literature References

PubMed DOI Target Context # Activities
3599019 10.1021/jm00390a002 No relevant target 6
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
8254605 10.1021/jm00076a002 No relevant target 2
894678 10.1021/jm00218a017 No relevant target 2
11754587 10.1021/jm010289a No relevant target 2
21692479 10.1021/jm200325s Poly(ADP-ribose) glycohydrolase 2
20799726 10.1021/mp100103e Phospholipidosis 1
25764119 10.1021/jm501982k Coagulation factor VII/tissue factor 1
850244 10.1021/jm00214a029 Unchecked 1
321782 10.1021/jm00214a001 Alcohol dehydrogenase 1
22300887 10.1016/j.bmc.2012.01.014 No relevant target 1
21692479 10.1021/jm200325s PARP 1, 2 and 3 1
21692479 10.1021/jm200325s Poly [ADP-ribose] polymerase 1 1
20020916 10.1080/15376510701857262 Phospholipidosis 1
17417631 10.1038/nchembio873 Unchecked 1
17485499 10.1128/aac.01458-06 Unchecked 1
15857133 10.1021/jm048980b No relevant target 1
11689065 10.1021/jm010116l Poly [ADP-ribose] polymerase 1 1
12825952 10.1021/jm030109s Poly [ADP-ribose] polymerase 1 1
8254605 10.1021/jm00076a002 ADMET 1

Data from ChEMBL 36 via Core Engine