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Compound Detail

CHEMBL1162351

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Cc1cc(C)nc(N/C(N)=N/CCc2c[nH]cn2)n1

Basic Information

ChEMBL ID CHEMBL1162351
Phase Preclinical
Structure Type MOL
InChI Key OLRHRIKWSZWWQB-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.3
MW (Da)
0.79
ALogP
4
HBA
3
HBD
104.9
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H17N7
MW 259.32
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.82

Activity Summary

Ki 1 meas. best 7.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 7.07 7.07 85.0 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