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Compound Detail

CHEMBL82970

SALICYLANILIDE
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O=C(Nc1ccccc1)c1ccccc1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL82970
Name SALICYLANILIDE
Phase Preclinical
Structure Type MOL
InChI Key WKEDVNSFRWHDNR-UHFFFAOYSA-N

Known Names

NSC-14881 Salicylanilide Salinidol
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

213.2
MW (Da)
2.64
ALogP
2
HBA
2
HBD
49.3
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product
USAN Stem -ilide; sal-

Extended Properties

Molecular Formula C13H11NO2
MW 213.24
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.01

Activity Summary

EC50 2 meas. best 4.55
IC50 1 meas. best 4.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Staphylococcus aureus
CHEMBL352
 EC50 4.55 4.42 28000.0 2
HepG2
CHEMBL395
 IC50 4.05 4.05 89800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Staphylococcus aureus EC50 = 28000.0 nM 4.55 Antibacterial activity against Staphylococcus aureus ATCC 25923 after 6 to 8 hrs... 30392371
Staphylococcus aureus EC50 = 51000.0 nM 4.29 Antibacterial activity against methicillin-resistant Staphylococcus aureus ATCC ... 30392371
HepG2 IC50 = 89800.0 nM 4.05 Cytotoxicity against human HepG2 cells assessed as reduction in cell viability a... 24953953

Literature References

PubMed DOI Target Context # Activities
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium kansasii 6
24953953 10.1016/j.bmc.2014.05.064 Unchecked 3
30392371 10.1021/acs.jmedchem.8b01293 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
30392371 10.1021/acs.jmedchem.8b01293 Staphylococcus aureus 2
30392371 10.1021/acs.jmedchem.8b01293 GroEL/GroES 2
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium avium 2
24953953 10.1016/j.bmc.2014.05.064 Mycobacterium tuberculosis 2
24953953 10.1016/j.bmc.2014.05.064 HepG2 1
30392371 10.1021/acs.jmedchem.8b01293 Thiosulfate sulfurtransferase 1
9873584 10.1016/s0960-894x(98)00460-0 Candida albicans 1
30392371 10.1021/acs.jmedchem.8b01293 Enterococcus faecium 1
30392371 10.1021/acs.jmedchem.8b01293 Klebsiella pneumoniae 1
30392371 10.1021/acs.jmedchem.8b01293 Acinetobacter baumannii 1
30392371 10.1021/acs.jmedchem.8b01293 Pseudomonas aeruginosa 1
36565533 10.1016/j.ejmech.2022.114996 Vero 1
30392371 10.1021/acs.jmedchem.8b01293 HSP60/HSP10 1
30392371 10.1021/acs.jmedchem.8b01293 HEK293 1
- 10.1016/S0960-894X(01)80782-4 Bos taurus 1

Data from ChEMBL 36 via Core Engine