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Compound Detail

CHEMBL2376788

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CN1CCN(c2nc(N)nc3cccnc23)CC1

Basic Information

ChEMBL ID CHEMBL2376788
Phase Preclinical
Structure Type MOL
InChI Key CNBQIPSGGHCMJO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
0.36
ALogP
6
HBA
1
HBD
71.2
PSA (Ų)
0.78
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 C12H16N6
MW 244.30
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.29

Activity Summary

Ki 1 meas. best 7.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 7.51 7.51 30.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
23558237 10.1016/j.bmcl.2013.02.091 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine