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Compound Detail

CHEMBL260470

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Cc1ccc(COc2nc3ccccc3nc2N2CCN(C)CC2)cc1

Basic Information

ChEMBL ID CHEMBL260470
Phase Preclinical
Structure Type MOL
InChI Key RWWSYZFWBKIOPV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
3.27
ALogP
5
HBA
0
HBD
41.5
PSA (Ų)
0.72
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H24N4O
MW 348.45
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 5.86

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 5.86 5.86 1380.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor Ki = 1380.38 nM 5.86 Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK2... 18357976

Literature References

PubMed DOI Target Context # Activities
18357976 10.1021/jm7014217 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine