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Compound Detail

CHEMBL408917

EOSIN
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O=C1OC2(c3ccccc31)c1cc(Br)c(O)c(Br)c1Oc1c2cc(Br)c(O)c1Br
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL408917
Name EOSIN
Phase Preclinical
Structure Type MOL
InChI Key DBZJJPROPLPMSN-UHFFFAOYSA-N

Known Names

Acid red 87 Acid red 87 sodium Aka223 Aka230(1) C.i. 45380 C.i. acid red 87 Ci 45380 Ci 45380 (na salt) Disodium eosine Eosin Eosin sodium salt Eosin y +9 more
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
21
Known Names

Molecular Properties

647.9
MW (Da)
6.72
ALogP
5
HBA
2
HBD
76.0
PSA (Ų)
0.27
QED
2
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C20H8Br4O5
MW 647.90
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness 0.46

ATC Classification

D08AX02
eosin
Level 1: DERMATOLOGICALS
Level 2: ANTISEPTICS AND DISINFECTANTS

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein arginine N-methyltransferase 1
CHEMBL5524
 IC50 6.0 6.0 1000.0 1
RmtA
CHEMBL1075069
 IC50 4.75 4.75 18000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Protein arginine N-methyltransferase 1 IC50 = 1000.0 nM 6.0 Inhibition of human PRMT1 using GST-tagged Npl3 as substrate preincubated for 15... -
RmtA IC50 = 18000.0 nM 4.75 Inhibition of Aspergillus nidulans RmtA 18348515

Literature References

PubMed DOI Target Context # Activities
18348515 10.1021/jm701595q U-937 5
18348515 10.1021/jm701595q Protein arginine N-methyltransferase 1 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
18348515 10.1021/jm701595q RmtA 1
18348515 10.1021/jm701595q Histone-arginine methyltransferase CARM1 1
18348515 10.1021/jm701595q Histone-lysine N-methyltransferase SETD7 1
18348515 10.1021/jm701595q Unchecked 1
18348515 10.1021/jm701595q NAD-dependent protein deacetylase sirtuin-1 1
18348515 10.1021/jm701595q NAD-dependent protein deacetylase sirtuin-2 1
19819704 10.1016/j.bmc.2009.09.048 No relevant target 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A1 1
- 10.1039/C0MD00062K Protein arginine N-methyltransferase 1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
34413959 10.1021/acsmedchemlett.1c00284 No relevant target 1
- 10.6019/EOS300033 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine