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Compound Detail

CHEMBL2348510

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COc1cc(Br)c(CNc2ccc(Cl)c(OCCN(C)C)c2)cc1OC

Basic Information

ChEMBL ID CHEMBL2348510
Phase Preclinical
Structure Type MOL
InChI Key UPHFHBWITHDJNQ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

443.8
MW (Da)
4.67
ALogP
5
HBA
1
HBD
43.0
PSA (Ų)
0.61
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24BrClN2O3
MW 443.77
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.25

Activity Summary

IC50 2 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Urotensin-2 receptor
CHEMBL3764
IC50 5.92 5.905 1200.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23453841 10.1016/j.bmcl.2013.01.105 Urotensin-2 receptor 2

Data from ChEMBL 36 via Core Engine