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Compound Detail

CHEMBL128506

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CN1CCN(C(=O)c2cc3ccccc3n2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL128506
Phase Preclinical
Structure Type MOL
InChI Key WORMLKIVBHMAJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

257.3
MW (Da)
1.57
ALogP
3
HBA
0
HBD
28.5
PSA (Ų)
0.78
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 C15H19N3O
MW 257.34
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -1.38

Literature References

PubMed DOI Target Context # Activities
12954048 10.1021/jm0341047 Histamine H4 receptor 1
- 10.6019/CHEMBL3301361 No relevant target 1

Data from ChEMBL 36 via Core Engine