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Compound Detail

CHEMBL2442380

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CN(C)c1ccc(-c2oc3ccccc3c(=O)c2O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2442380
Phase Preclinical
Structure Type MOL
InChI Key BLHYLBIDBHWACD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
3.23
ALogP
4
HBA
1
HBD
53.7
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C17H15NO3
MW 281.31
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness 0.18

Activity Summary

IC50 1 meas. best 4.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
 IC50 4.66 4.66 22000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
No relevant target IC50 = 22000.0 nM 4.66 Antioxidant activity assessed as DPPH radical scavenging activity incubated at r... 25278230

Literature References

PubMed DOI Target Context # Activities
25262941 10.1016/j.bmc.2014.08.038 Melanocyte-stimulating hormone receptor 2
25262941 10.1016/j.bmc.2014.08.038 Adrenocorticotropic hormone receptor 2
25262941 10.1016/j.bmc.2014.08.038 Melanocortin receptor 3 2
25262941 10.1016/j.bmc.2014.08.038 Melanocortin receptor 4 2
24011954 10.1016/j.bmc.2013.08.013 Casein kinase II 2
25262941 10.1016/j.bmc.2014.08.038 Melanin-concentrating hormone receptor 1 1
25262941 10.1016/j.bmc.2014.08.038 Glucagon receptor 1
25262941 10.1016/j.bmc.2014.08.038 C5a anaphylatoxin chemotactic receptor 1 1
25262941 10.1016/j.bmc.2014.08.038 Parathyroid hormone/parathyroid hormone-related peptide receptor 1
25262941 10.1016/j.bmc.2014.08.038 Adenosine receptor A3 1
25262941 10.1016/j.bmc.2014.08.038 Adenosine receptor A2a 1
25262941 10.1016/j.bmc.2014.08.038 Adenosine receptor A1 1
25278230 10.1016/j.bmcl.2014.09.028 No relevant target 1
25262941 10.1016/j.bmc.2014.08.038 D(1B) dopamine receptor 1
25262941 10.1016/j.bmc.2014.08.038 D(1A) dopamine receptor 1
25262941 10.1016/j.bmc.2014.08.038 Muscarinic acetylcholine receptor M1 1
25262941 10.1016/j.bmc.2014.08.038 Orexin receptor type 2 1
25262941 10.1016/j.bmc.2014.08.038 5-hydroxytryptamine receptor 2C 1
25262941 10.1016/j.bmc.2014.08.038 Neuromedin-U receptor 1 1
25262941 10.1016/j.bmc.2014.08.038 Melanocortin receptor 5 1

Data from ChEMBL 36 via Core Engine