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Compound Detail

CHEMBL219930

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Cc1ccc2[nH]c(-c3ccc(OCCCN4CCN(C)CC4)cc3Cl)nc2c1C

Basic Information

ChEMBL ID CHEMBL219930
Phase Preclinical
Structure Type MOL
InChI Key FKLHKZSFHAZKBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

413.0
MW (Da)
4.52
ALogP
4
HBA
1
HBD
44.4
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClN4O
MW 412.97
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.43

Activity Summary

Ki 1 meas. best 7.34

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 7.34 7.34 46.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16990005 10.1016/j.bmcl.2006.08.117 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine