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Compound Detail

CHEMBL289383

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N[C@H]1CCC[C@@H]1c1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL289383
Phase Preclinical
Structure Type MOL
InChI Key MUHUWRJWVGDFJX-BQBZGAKWSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

151.2
MW (Da)
1.00
ALogP
2
HBA
2
HBD
54.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H13N3
MW 151.21
Aromatic Rings 1
Heavy Atoms 11
NP-Likeness 0.34

Activity Summary

Ki 1 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL5076
Ki 6.13 6.13 740.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 740.0 nM 6.13 Binding affinity against Histamine H3 receptor 7752184

Literature References

PubMed DOI Target Context # Activities
7752184 10.1021/jm00010a003 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine