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Compound Detail

CHEMBL3236576

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CN[C@@H]1CCN(c2cc(C3CCCCC3)nc(N)n2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3236576
Phase Preclinical
Structure Type MOL
InChI Key YGIIEYJCEMDSRT-GFCCVEGCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

275.4
MW (Da)
1.90
ALogP
5
HBA
2
HBD
67.1
PSA (Ų)
0.88
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H25N5
MW 275.40
Aromatic Rings 1
Heavy Atoms 20
NP-Likeness -1.23

Activity Summary

Ki 1 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Histamine H4 receptor
CHEMBL3759
 Ki 8.64 8.64 2.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Histamine H4 receptor Ki = 2.3 nM 8.64 Displacement of [3H]histamine from human recombinant histamine H4 receptor expre... 24495018

Literature References

PubMed DOI Target Context # Activities
24495018 10.1021/jm401727m Histamine H4 receptor 3

Data from ChEMBL 36 via Core Engine