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Compound Detail

CHEMBL169348

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Fc1ccc(Cc2noc(CCc3c[nH]cn3)n2)cc1

Basic Information

ChEMBL ID CHEMBL169348
Phase Preclinical
Structure Type MOL
InChI Key PRJALAIRLSHXFQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

272.3
MW (Da)
2.31
ALogP
4
HBA
1
HBD
67.6
PSA (Ų)
0.77
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 C14H13FN4O
MW 272.28
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.80

Activity Summary

Ki 1 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 8.0 8.0 10.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H3 receptor Ki = 10.0 nM 8.0 Binding affinity against H3 receptor in rat cerebral cortex membranes was evalua... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00122-9 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine