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Compound Detail

CHEMBL258921

PHENOLSULFONPHTHALEIN
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O=S1(=O)OC(c2ccc(O)cc2)(c2ccc(O)cc2)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL258921
Name PHENOLSULFONPHTHALEIN
Phase Preclinical
Structure Type MOL
InChI Key BELBBZDIHDAJOR-UHFFFAOYSA-N

Known Names

NSC-10459 Phenolsulfonphthalein
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
13
Publications
2
Known Names

Molecular Properties

354.4
MW (Da)
3.11
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C19H14O5S
MW 354.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness 0.10

ATC Classification

V04CH03
phenolsulfonphthalein
Level 1: VARIOUS
Level 2: DIAGNOSTIC AGENTS

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17284452 10.1074/jbc.m608207200 Unchecked 3
19640715 10.1016/j.bmcl.2009.07.082 Unchecked 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A1 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A4 1
10836148 10.1146/annurev.pharmtox.40.1.581 UDP-glucuronosyltransferase 1A9 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.1101/2020.04.21.054387 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
33395623 10.1016/j.ejmech.2020.113124 Amyloid-beta precursor protein 1
34939794 10.1021/acs.jmedchem.1c00947 ADMET 1
34923430 10.1016/j.ejmech.2021.114044 Amyloid-beta precursor protein 1

Data from ChEMBL 36 via Core Engine