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Compound Detail

CHEMBL269644

ACETANILIDE
💊 Approved Drug
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💊 Approved Drug
CC(=O)Nc1ccccc1

Basic Information

ChEMBL ID CHEMBL269644
Name ACETANILIDE
Phase Approved
Structure Type MOL
InChI Key FZERHIULMFGESH-UHFFFAOYSA-N

Known Names

Acetaminophen related compound d Acetanilid Acetanilide Acetanilidum Antifebrin Antifebrinum NSC-203231 NSC-7636 Phenalgene
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
20
Publications
9
Known Names

Molecular Properties

135.2
MW (Da)
1.65
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Withdrawn
Chirality Achiral

Flags

Withdrawn Natural Product
USAN Stem -ilide

Extended Properties

Molecular Formula C8H9NO
MW 135.17
Aromatic Rings 1
Heavy Atoms 10
NP-Likeness -1.34

Drug Warnings

Withdrawn
hematological toxicity
Aplastic anaemia
Country: Japan   Year: 1971

Activity Summary

Ki 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Nicotinate phosphoribosyltransferase
CHEMBL4523354
Ki 9.0 9.0 1.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 0.7333 hr -

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Nicotinate phosphoribosyltransferase Ki = 1.0 nM 9.0 Inhibition of NAPRT (unknown origin) -

Literature References

PubMed DOI Target Context # Activities
26544630 10.1016/j.ejmech.2015.10.033 Tyrosinase 6
6945436 10.1021/jm00141a016 Erythroleukemia cell line 4
13215 10.1021/jm00211a010 No relevant target 4
27908763 10.1016/j.bmcl.2016.11.048 No relevant target 3
11754587 10.1021/jm010289a No relevant target 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
24890655 10.1016/j.bmc.2014.05.019 No relevant target 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
1271403 10.1021/jm00227a008 No relevant target 2
894678 10.1021/jm00218a017 No relevant target 2
8254605 10.1021/jm00076a002 No relevant target 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
850244 10.1021/jm00214a029 Unchecked 1
10866370 10.1016/s0960-894x(00)00172-4 No relevant target 1
13215 10.1021/jm00211a010 Colon 1
2993621 10.1021/jm00147a037 No relevant target 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
15857133 10.1021/jm048980b No relevant target 1
38711345 10.1021/acs.jmedchem.3c01825 ADMET 1

Data from ChEMBL 36 via Core Engine