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Compound Detail

CHEMBL1783899

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COCCNCc1nc(C(=O)N2CCN(C(C)C)CC2)cs1

Basic Information

ChEMBL ID CHEMBL1783899
Phase Preclinical
Structure Type MOL
InChI Key UDTKKXJBAUFIGP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

326.5
MW (Da)
1.05
ALogP
6
HBA
1
HBD
57.7
PSA (Ų)
0.76
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H26N4O2S
MW 326.47
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -2.17

Activity Summary

Ki 1 meas. best 6.45

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H3 receptor
CHEMBL264
Ki 6.45 6.45 356.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
19577344 10.1016/j.ejmech.2009.06.007 Histamine H3 receptor 1

Data from ChEMBL 36 via Core Engine