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Compound Detail

CHEMBL263071

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O=C(OCCCc1c[nH]cn1)N(c1ccccc1)c1ccccc1

Basic Information

ChEMBL ID CHEMBL263071
Phase Preclinical
Structure Type MOL
InChI Key LKKIYKQZQIVLAE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.4
MW (Da)
4.32
ALogP
3
HBA
1
HBD
58.2
PSA (Ų)
0.69
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 C19H19N3O2
MW 321.38
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -0.60

Activity Summary

Ki 1 meas. best 6.78

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 6.78 6.78 165.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8676353 10.1021/jm9507688 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine