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Compound Detail

CHEMBL24847

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O=C(c1ccc(-c2ccc(OCCCN3CCOCC3)cc2)cc1)N1CCOCC1

Basic Information

ChEMBL ID CHEMBL24847
Phase Preclinical
Structure Type MOL
InChI Key SUSCRCGESBAMOT-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
2.93
ALogP
5
HBA
0
HBD
51.2
PSA (Ų)
0.66
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 C24H30N2O4
MW 410.51
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness -1.31

Activity Summary

Ki 2 meas. best 7.74

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 7.74 7.74 18.2 1
Histamine H3 receptor
CHEMBL4124
Ki 7.28 7.28 52.5 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
12657274 10.1016/s0960-894x(03)00118-5 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine