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Compound Detail

CHEMBL522841

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CN1CCN(c2cc(-c3ccc4ccccc4c3)nc(N)n2)CC1

Basic Information

ChEMBL ID CHEMBL522841
Phase Preclinical
Structure Type MOL
InChI Key FVLWYTOUDBDGFK-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
2.63
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.79
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 C19H21N5
MW 319.41
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.21

Activity Summary

EC50 1 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL4468
EC50 6.76 6.76 173.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor EC50 = 173.78 nM 6.76 Agonist activity at rat histamine H4 receptor expressed in HEK293 cells coexpres... 18811133

Literature References

PubMed DOI Target Context # Activities
18811133 10.1021/jm8005959 Histamine H4 receptor 3

Data from ChEMBL 36 via Core Engine