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Compound Detail

CHEMBL493262

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CN1CCN(c2cc(-c3ccc(C#N)cc3)cc(N)n2)CC1

Basic Information

ChEMBL ID CHEMBL493262
Phase Preclinical
Structure Type MOL
InChI Key QCGNMMYADUBMGC-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

293.4
MW (Da)
1.95
ALogP
5
HBA
1
HBD
69.2
PSA (Ų)
0.92
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5
MW 293.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.26

Activity Summary

EC50 1 meas. best 5.63

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
EC50 5.63 5.63 2344.2 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor EC50 = 2344.23 nM 5.63 Agonist activity at human histamine H4 receptor expressed in HEK293 cells coexpr... 18811133

Literature References

PubMed DOI Target Context # Activities
18811133 10.1021/jm8005959 Histamine H4 receptor 3

Data from ChEMBL 36 via Core Engine