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Compound Detail

CHEMBL278276

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N[C@H](/C=C/[C@@H]1C[C@H]1c1c[nH]cn1)CC1CCCCC1

Basic Information

ChEMBL ID CHEMBL278276
Phase Preclinical
Structure Type MOL
InChI Key QHEKYWAITJJNLH-ZQXYTJGRSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

259.4
MW (Da)
3.37
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.80
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 C16H25N3
MW 259.40
Aromatic Rings 1
Heavy Atoms 19
NP-Likeness 0.69

Activity Summary

Ki 1 meas. best 9.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 9.4 9.4 0.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 0.3981 nM 9.4 Binding affinity of compound against Histamine H3 receptor 10197963

Literature References

PubMed DOI Target Context # Activities
10197963 10.1021/jm980408v Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine