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Compound Detail

CHEMBL471715

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CCCN1CCN(c2nc3cnccc3[nH]2)CC1

Basic Information

ChEMBL ID CHEMBL471715
Phase Preclinical
Structure Type MOL
InChI Key UYXVCQMBRDJMRW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
1.49
ALogP
4
HBA
1
HBD
48.0
PSA (Ų)
0.89
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 C13H19N5
MW 245.33
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.88

Activity Summary

Kd 1 meas. best 7.25

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
Kd 7.25 7.25 56.2 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18990469 10.1016/j.ejmech.2008.09.019 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine