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Compound Detail

CHEMBL259745

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Cc1nc2ccccc2nc1N1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL259745
Phase Preclinical
Structure Type MOL
InChI Key UFECJGNJNUSSNX-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

242.3
MW (Da)
1.69
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.76
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N4
MW 242.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.32

Activity Summary

Ki 1 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 6.7 6.7 199.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18357976 10.1021/jm7014217 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine