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Compound Detail

CHEMBL1162352

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CCOC(=O)c1ccc(NC2=CC(=O)/C(=N\NC(=N)N)c3ccccc32)cc1

Basic Information

ChEMBL ID CHEMBL1162352
Phase Preclinical
Structure Type MOL
InChI Key TYPBWLKJWGOCHV-MOHJPFBDSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
2.09
ALogP
6
HBA
4
HBD
129.7
PSA (Ų)
0.27
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19N5O3
MW 377.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.42

Activity Summary

Ki 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 6.66 6.66 219.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18459760 10.1021/jm7014777 Histamine H4 receptor 2

Data from ChEMBL 36 via Core Engine