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Compound Detail

CHEMBL493719

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COc1ccccc1-c1cc(N2CCN(C)CC2)nc(N)n1

Basic Information

ChEMBL ID CHEMBL493719
Phase Preclinical
Structure Type MOL
InChI Key GYMVKMZPCRNXCZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
1.49
ALogP
6
HBA
1
HBD
67.5
PSA (Ų)
0.93
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H21N5O
MW 299.38
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.29

Activity Summary

EC50 1 meas. best 7.36

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL4468
EC50 7.36 7.36 43.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor EC50 = 43.65 nM 7.36 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