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Compound Detail

CHEMBL377985

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CC(C)N1CCN(C2=Nc3cc(Cl)ccc3Oc3ccccc32)CC1

Basic Information

ChEMBL ID CHEMBL377985
Phase Preclinical
Structure Type MOL
InChI Key HMRCFUPGLARKML-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

355.9
MW (Da)
4.55
ALogP
4
HBA
0
HBD
28.1
PSA (Ų)
0.75
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 C20H22ClN3O
MW 355.87
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.91

Activity Summary

Ki 1 meas. best 5.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
Ki 5.97 5.97 1071.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor Ki = 1071.52 nM 5.97 Displacement of [3H]histamine from human histamine H4 receptor transfected in SK... 16854056

Literature References

PubMed DOI Target Context # Activities
16854056 10.1021/jm051008s Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine