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Compound Detail

CHEMBL493664

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CN1CCN(c2cc(-n3ccccc3=O)nc(N)n2)CC1

Basic Information

ChEMBL ID CHEMBL493664
Phase Preclinical
Structure Type MOL
InChI Key OJHQVXKWXRZSKG-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

286.3
MW (Da)
-0.04
ALogP
7
HBA
1
HBD
80.3
PSA (Ų)
0.83
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H18N6O
MW 286.34
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.60

Activity Summary

EC50 2 meas. best 5.41

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
EC50 5.41 5.41 3890.4 1
Histamine H4 receptor
CHEMBL4468
EC50 4.85 4.85 14125.4 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18811133 10.1021/jm8005959 Histamine H4 receptor 4

Data from ChEMBL 36 via Core Engine