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Compound Detail

CHEMBL2283102

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Cl.Cl.Cl.NCCCN1CCN(CCOc2ccccc2)CC1

Basic Information

ChEMBL ID CHEMBL2283102
Phase Preclinical
Structure Type MOL
InChI Key AXIKXRMZZPGADF-UHFFFAOYSA-N
Parent Compound CHEMBL3138860
Active Moiety CHEMBL3138860
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

263.4
MW (Da)
1.03
ALogP
4
HBA
1
HBD
41.7
PSA (Ų)
0.80
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H28Cl3N3O
MW 372.77
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness -0.94

Activity Summary

Kd 1 meas. best 6.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
Kd 6.75 6.75 177.8 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Kd = 177.83 nM 6.75 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