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Compound Detail

CHEMBL473159

PHLOROGLUCINOL
🧪 Phase III
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🧪 Phase III
Oc1cc(O)cc(O)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL473159
Name PHLOROGLUCINOL
Phase Phase III
Structure Type MOL
InChI Key QCDYQQDYXPDABM-UHFFFAOYSA-N
Therapeutic ✓ Yes

Known Names

Benezene-1,3,5-triol Dilospan s NSC-1572 Phloroglucin Phloroglucinol Spasfon Spasfon-lyoc Sym-trihydroxybenzene
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
20
Publications
8
Known Names
1
Indications
1
Mechanisms

Molecular Properties

126.1
MW (Da)
0.80
ALogP
3
HBA
3
HBD
60.7
PSA (Ų)
0.48
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C6H6O3
MW 126.11
Aromatic Rings 1
Heavy Atoms 9
NP-Likeness 0.77

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Voltage-gated calcium channel blocker BLOCKER Voltage-gated calcium channel ✓ ✓

Indications

Digestive System Diseases

ATC Classification

A03AX12
phloroglucinol
Level 1: ALIMENTARY TRACT AND METABOLISM
Level 2: DRUGS FOR FUNCTIONAL GASTROINTESTINAL DISORDERS

Activity Summary

IC50 4 meas. best 4.44
Ki 2 meas. best 8.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 Ki 8.06 8.055 8.8 2
Beta-secretase 1
CHEMBL4822
 IC50 4.44 4.44 36470.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked Ki = 8.77 nM 8.06 Inhibition of Crotalus adamanteus venom PLA2 assessed as effect on 1-hexadecanoy... 18423943
Unchecked Ki = 8.86 nM 8.05 Inhibition of Crotalus adamanteus venom PLA2 assessed as effect on 1-hexadecanoy... 18423943
Beta-secretase 1 IC50 = 36470.0 nM 4.44 Inhibition of human recombinant BACE1 after 60 mins by FRET assay 20462757

Literature References

PubMed DOI Target Context # Activities
18423943 10.1016/j.ejmech.2008.02.043 Unchecked 6
23352755 10.1016/j.bmc.2012.12.031 Tyrosinase 4
23647823 10.1016/j.bmc.2013.04.026 Replicase polyprotein 1ab 3
19201199 10.1016/j.bmc.2009.01.031 NON-PROTEIN TARGET 3
20462757 10.1016/j.bmcl.2010.04.093 Beta-secretase 1 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
19201199 10.1016/j.bmc.2009.01.031 MRC5 1
19201199 10.1016/j.bmc.2009.01.031 RAW264.7 1
19201199 10.1016/j.bmc.2009.01.031 HL-60 1
11277741 10.1021/np000496y NON-PROTEIN TARGET 1
19201199 10.1016/j.bmc.2009.01.031 Radical scavenging activity 1
23647823 10.1016/j.bmc.2013.04.026 Unchecked 1
16252923 10.1021/np050164z Prostaglandin G/H synthase 1 1
23647823 10.1016/j.bmc.2013.04.026 Vero 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
18423943 10.1016/j.ejmech.2008.02.043 Crotalus adamanteus 1
11277741 10.1021/np000496y HT-1080 1

Data from ChEMBL 36 via Core Engine