Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL562100

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)CN1C[C@H]2CCN(c3ccc(-c4ccc(C#N)cc4)cc3)[C@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL562100
Phase Preclinical
Structure Type MOL
InChI Key LRDJLTAHLHTZGY-GGAORHGYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

345.5
MW (Da)
4.39
ALogP
3
HBA
0
HBD
30.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H27N3
MW 345.49
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.01

Activity Summary

Ki 2 meas. best 6.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
 Ki 6.64 6.64 229.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 229.09 nM 6.64 Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... 19588934
Histamine H3 receptor Ki = 229.0 nM 6.64 Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 rece... 19588934

Literature References

PubMed DOI Target Context # Activities
19588934 10.1021/jm900480x Histamine H3 receptor 4

Data from ChEMBL 36 via Core Engine