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Compound Detail

CHEMBL312311

PAROXYPROPIONE
🧪 Phase II
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🧪 Phase II
CCC(=O)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL312311
Name PAROXYPROPIONE
Phase Phase II
Structure Type MOL
InChI Key RARSHUDCJQSEFJ-UHFFFAOYSA-N

Known Names

B-360 H 365 H-365 NSC-2834 P-hydroxypropiophenone Paroxipropiona Paroxypropione
1
Targets
7
Activities
1
Assay Types
0
PK Parameters
20
Publications
7
Known Names

Molecular Properties

150.2
MW (Da)
1.98
ALogP
2
HBA
1
HBD
37.3
PSA (Ų)
0.65
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Natural Product

Extended Properties

Molecular Formula C9H10O2
MW 150.18
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.12

Activity Summary

IC50 7 meas. best 5.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 5.39 5.22 4102.6 4

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 4102.6 nM 5.39 PubChem BioAssay. SW480 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 6246.1 nM 5.2 PubChem BioAssay. GSK3B-pretreated HCT116 viability from Cell TiterGlo-IC50. (... -
Unchecked IC50 = 6673.0 nM 5.18 PubChem BioAssay. DLD-1 viability from Cell TiterGlo-IC50. (Class of assay: co... -
Unchecked IC50 = 7804.2 nM 5.11 PubChem BioAssay. RKO viability from Cell TiterGlo-IC50. (Class of assay: conf... -

Literature References

PubMed DOI Target Context # Activities
27756508 10.1016/j.bmc.2016.10.001 Mushroom tyrosinase 4
27756508 10.1016/j.bmc.2016.10.001 Mus musculus 4
27756508 10.1016/j.bmc.2016.10.001 NON-PROTEIN TARGET 4
13215 10.1021/jm00211a010 No relevant target 3
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.6019/CHEMBL4651402 SARS-CoV-2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
21227691 10.1016/j.bmcl.2010.12.074 Unchecked 2
21227691 10.1016/j.bmcl.2010.12.074 LNCaP C4-2B 2
16797984 10.1016/j.bmcl.2006.06.029 17-beta-hydroxysteroid dehydrogenase type 3 2
20020916 10.1080/15376510701857262 Phospholipidosis 1
13215 10.1021/jm00211a010 Colon 1
19056282 10.1016/j.bmc.2008.11.040 ADMET 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 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
16290145 10.1016/j.bmcl.2005.10.040 4-aminobutyrate aminotransferase, mitochondrial 1
16290145 10.1016/j.bmcl.2005.10.040 Succinate-semialdehyde dehydrogenase, mitochondrial 1
9632359 10.1021/jm9705521 Estrogen receptor 1

Data from ChEMBL 36 via Core Engine