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Compound Detail

CHEMBL436589

ACRIDONE
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O=c1c2ccccc2[nH]c2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL436589
Name ACRIDONE
Phase Preclinical
Structure Type MOL
InChI Key FZEYVTFCMJSGMP-UHFFFAOYSA-N
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names

Molecular Properties

195.2
MW (Da)
2.68
ALogP
1
HBA
1
HBD
32.9
PSA (Ų)
0.55
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C13H9NO
MW 195.22
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness 0.09

Activity Summary

IC50 5 meas. best 4.57

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 4.57 4.4067 27198.0 3
Heme
CHEMBL4651321
 IC50 4.26 4.26 55000.0 1
CH1
CHEMBL614455
 IC50 4.11 4.11 77000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 27198.0 nM 4.57 PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... -
Unchecked IC50 = 36180.0 nM 4.44 PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... -
Heme IC50 = 55000.0 nM 4.26 Inhibition of heme-mediated bovine serum albumin oxidation assessed as protein c... 21600767
Unchecked IC50 = 62030.0 nM 4.21 PUBCHEM_BIOASSAY: A counter screen for small molecule screen for inhibitors of t... -
CH1 IC50 = 77000.0 nM 4.11 Cytotoxic potency required to inhibit CH1 cell growth by 50% 9371240

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
9371240 10.1021/jm970114u Calf thymus DNA 3
9371240 10.1021/jm970114u Nucleic Acid 2
20850910 10.1016/j.ejmech.2010.08.059 HaCaT 2
21600767 10.1016/j.bmcl.2011.04.127 Heme 2
30523084 10.1126/science.aat9446 HepG2-CD81 2
9371240 10.1021/jm970114u L1210 1
9371240 10.1021/jm970114u A2780 1
9371240 10.1021/jm970114u CH1 1
9371240 10.1021/jm970114u G-361 1
9371240 10.1021/jm970114u SK-OV-3 1
15715475 10.1021/jm049549p No relevant target 1
18713666 10.1016/j.bmc.2008.07.086 CCRF-CEM 1
20850910 10.1016/j.ejmech.2010.08.059 Radical scavenging activity 1
24900465 10.1021/ml200266v U-937 1
35717872 10.1016/j.ejmech.2022.114527 MCF7 1

Data from ChEMBL 36 via Core Engine