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Compound Detail

CHEMBL278025

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O=C(NCc1cccs1)OCCCc1c[nH]cn1

Basic Information

ChEMBL ID CHEMBL278025
Phase Preclinical
Structure Type MOL
InChI Key VDIHTJOZRXHYEC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

265.3
MW (Da)
2.33
ALogP
4
HBA
2
HBD
67.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H15N3O2S
MW 265.34
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -1.62

Activity Summary

Ki 1 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL4124
Ki 7.75 7.75 18.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8676353 10.1021/jm9507688 Histamine H3 receptor 2

Data from ChEMBL 36 via Core Engine