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Compound Detail

CHEMBL494723

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Cc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1

Basic Information

ChEMBL ID CHEMBL494723
Phase Preclinical
Structure Type MOL
InChI Key HEDVRBXYVBVMLM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

283.4
MW (Da)
1.79
ALogP
5
HBA
1
HBD
58.3
PSA (Ų)
0.91
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 C16H21N5
MW 283.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.48

Activity Summary

EC50 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL4468
EC50 6.75 6.75 177.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor EC50 = 177.83 nM 6.75 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