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Compound Detail

CHEMBL2283090

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CN(C)CCCCN1CCN(CCCCCCCCCOc2ccccc2)CC1.Cl.Cl.Cl

Basic Information

ChEMBL ID CHEMBL2283090
Phase Preclinical
Structure Type MOL
InChI Key OXGNZHBPACILPY-UHFFFAOYSA-N
Parent Compound CHEMBL3138968
Active Moiety CHEMBL3138968
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

403.7
MW (Da)
4.76
ALogP
4
HBA
0
HBD
18.9
PSA (Ų)
0.37
QED
0
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H48Cl3N3O
MW 513.04
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness -0.81

Activity Summary

Kd 1 meas. best 7.01

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
Kd 7.01 7.01 97.7 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Kd = 97.72 nM 7.01 Antagonist activity at histamine H3 receptor in Cavia porcellus (guinea pig) ile... -

Literature References

PubMed DOI Target Context # Activities
- 10.1007/s00044-012-0090-2 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine