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Compound Detail

CHEMBL571448

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CN1C[C@H]2CCN(c3ccc(Cc4ccccc4)cc3)[C@H]2C1

Basic Information

ChEMBL ID CHEMBL571448
Phase Preclinical
Structure Type MOL
InChI Key RSDBWOAXNDPNNE-QUCCMNQESA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

292.4
MW (Da)
3.42
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.86
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 C20H24N2
MW 292.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.25

Activity Summary

Ki 4 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 7.58 7.58 26.3 2
Histamine H3 receptor
CHEMBL4124
Ki 6.86 6.86 138.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

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

Data from ChEMBL 36 via Core Engine