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Compound Detail

CHEMBL200155

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O=C(CN1CCC(Cc2c[nH]cn2)CC1)Nc1ccc(Cl)cc1

Basic Information

ChEMBL ID CHEMBL200155
Phase Preclinical
Structure Type MOL
InChI Key PKTZPVHKOIGPNJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

332.8
MW (Da)
2.96
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.88
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21ClN4O
MW 332.83
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.69

Activity Summary

Ki 1 meas. best 7.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
Ki 7.05 7.05 90.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
16246552 10.1016/j.bmcl.2005.09.076 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine