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Compound Detail

CHEMBL594266

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CN1CCN(c2cc(NCc3ccc(C(=O)O)cc3)nc(N)n2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL594266
Phase Preclinical
Structure Type MOL
InChI Key BISUKAQGRPXHOK-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

342.4
MW (Da)
1.12
ALogP
7
HBA
3
HBD
107.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H22N6O2
MW 342.40
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -1.47

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
19773175 10.1016/j.bmc.2009.08.059 Histamine H4 receptor 1

Data from ChEMBL 36 via Core Engine