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Compound Detail

CHEMBL255962

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CC1CCCN1CCc1ccc(C2=CCC3CN(Cc4ccccc4)CC23)cc1

Basic Information

ChEMBL ID CHEMBL255962
Phase Preclinical
Structure Type MOL
InChI Key OIHRIEUENZKCPW-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

386.6
MW (Da)
5.25
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.67
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H34N2
MW 386.58
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.40

Activity Summary

Ki 2 meas. best 10.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 10.3 10.265 0.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18194865 10.1016/j.bmcl.2007.12.059 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine