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Compound Detail

CHEMBL260372

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CN1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL260372
Phase Preclinical
Structure Type MOL
InChI Key ZCRSLWUQQYTFBE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

304.4
MW (Da)
3.05
ALogP
4
HBA
0
HBD
32.3
PSA (Ų)
0.73
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 C19H20N4
MW 304.40
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -0.94

Activity Summary

Ki 1 meas. best 4.99

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 4.99 4.99 10232.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor Ki = 10232.93 nM 4.99 Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... 18357976

Literature References

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

Data from ChEMBL 36 via Core Engine